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Phenylpropanoids and polyketides

Phenylpropaniods are organic compounds characterized by having an aromatic ring and a three-carbon propene tail. Polyketides are compounds characterized by having two or more carbonyl functional groups connected with a single carbon atom.
Cinnamic acids and derivatives (667)
Flavonoids (578)
Coumarins and derivatives (565)
Phenylpropanoic acids (324)
Linear 1 3-diarylpropanoids (319)
Depsides and depsidones (231)
Isoflavonoids (126)
Cinnamaldehydes (114)
Stilbenes (106)
Macrolide lactams (64)
Anthracyclines (57)
Macrolides and analogues (54)
Tetracyclines (48)
Cinnamyl alcohols (45)
Isocoumarins and derivatives (34)
Macrolactams (13)
Dihydrocoumarins (12)
Ochratoxins and related substances (11)
Neoflavonoids (5)
Angucyclines (1)

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1 – 15 of 2,647 results
1

Thermo Scientific Chemicals Phenyl salicylate, 99%

CAS: 118-55-8 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 InChI Key: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Synonym: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate PubChem CID: 8361 ChEBI: CHEBI:34918 IUPAC Name: phenyl 2-hydroxybenzoate SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O

PubChem CID 8361
CAS 118-55-8
Molecular Weight (g/mol) 214.22
ChEBI CHEBI:34918
SMILES C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
Synonym phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate
IUPAC Name phenyl 2-hydroxybenzoate
InChI Key ZQBAKBUEJOMQEX-UHFFFAOYSA-N
Molecular Formula C13H10O3
2

Paraffin Oil Light, MilliporeSigma™
GSA_VA

CAS: 8012-95-1 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *

EDGE
PubChem CID 68245
CAS 8012-95-1
Molecular Weight (g/mol) 0.00
ChEBI CHEBI:38701
MDL Number MFCD00131611
SMILES *
Synonym delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride
IUPAC Name 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride
InChI Key FFNDMZIBVDSQFI-UHFFFAOYSA-N
Molecular Formula MFCD00131611
3

Thermo Scientific Chemicals 4-Hydroxy-3-methoxycinnamic acid, 99%

CAS: 1135-24-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00004400 InChI Key: KSEBMYQBYZTDHS-HWKANZROSA-N Synonym: ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl PubChem CID: 445858 ChEBI: CHEBI:17620 IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O

EDGE
PubChem CID 445858
CAS 1135-24-6
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:17620
MDL Number MFCD00004400
SMILES COC1=C(C=CC(=C1)C=CC(=O)O)O
Synonym ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl
IUPAC Name (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
InChI Key KSEBMYQBYZTDHS-HWKANZROSA-N
Molecular Formula C10H10O4
4

Thermo Scientific Chemicals L(-)-3-Phenyllactic acid, 98%

CAS: 20312-36-1 Molecular Formula: C9H9O3 Molecular Weight (g/mol): 165.17 MDL Number: MFCD00004244 InChI Key: VOXXWSYKYCBWHO-QMMMGPOBSA-M Synonym: l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid PubChem CID: 444718 ChEBI: CHEBI:43065 IUPAC Name: (2S)-2-hydroxy-3-phenylpropanoic acid SMILES: O[C@@H](CC1=CC=CC=C1)C([O-])=O

EDGE
PubChem CID 444718
CAS 20312-36-1
Molecular Weight (g/mol) 165.17
ChEBI CHEBI:43065
MDL Number MFCD00004244
SMILES O[C@@H](CC1=CC=CC=C1)C([O-])=O
Synonym l---3-phenyllactic acid,s-2-hydroxy-3-phenylpropionic acid,s-2-hydroxy-3-phenylpropanoic acid,l--3-phenyllactic acid,s---3-phenyllactic acid,l-3-phenyllactic acid,d-3-phenyllactic acid,2s-2-hydroxy-3-phenylpropanoic acid,s-3-phenyllactic acid,s---2-hydroxy-3-phenylpropionic acid
IUPAC Name (2S)-2-hydroxy-3-phenylpropanoic acid
InChI Key VOXXWSYKYCBWHO-QMMMGPOBSA-M
Molecular Formula C9H9O3
5

Thermo Scientific Chemicals 4-Chlorocinnamic acid, 99%, predominantly trans

CAS: 1615-02-7 Molecular Formula: C9H7ClO2 Molecular Weight (g/mol): 182.60 MDL Number: MFCD00004396 InChI Key: GXLIFJYFGMHYDY-ZZXKWVIFSA-N Synonym: 4-chlorocinnamic acid,p-chlorocinnamic acid,3-4-chlorophenyl acrylic acid,trans-4-chlorocinnamic acid,2e-3-4-chlorophenyl prop-2-enoic acid,e-p-chlorocinnamic acid,cinnamic acid, p-chloro,trans-p-chlorocinnamic acid,2-propenoic acid, 3-4-chlorophenyl,3-p-chlorophenyl acrylic acid PubChem CID: 637797 ChEBI: CHEBI:61116 IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enoic acid SMILES: OC(=O)\C=C\C1=CC=C(Cl)C=C1

EDGE
PubChem CID 637797
CAS 1615-02-7
Molecular Weight (g/mol) 182.60
ChEBI CHEBI:61116
MDL Number MFCD00004396
SMILES OC(=O)\C=C\C1=CC=C(Cl)C=C1
Synonym 4-chlorocinnamic acid,p-chlorocinnamic acid,3-4-chlorophenyl acrylic acid,trans-4-chlorocinnamic acid,2e-3-4-chlorophenyl prop-2-enoic acid,e-p-chlorocinnamic acid,cinnamic acid, p-chloro,trans-p-chlorocinnamic acid,2-propenoic acid, 3-4-chlorophenyl,3-p-chlorophenyl acrylic acid
IUPAC Name (E)-3-(4-chlorophenyl)prop-2-enoic acid
InChI Key GXLIFJYFGMHYDY-ZZXKWVIFSA-N
Molecular Formula C9H7ClO2
6

Thermo Scientific Chemicals 4-Isobutyl-alpha-methylphenylacetic acid, 99%

CAS: 15687-27-1 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.29 MDL Number: MFCD00010393 InChI Key: HEFNNWSXXWATRW-UHFFFAOYNA-N Synonym: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O

PubChem CID 3672
CAS 15687-27-1
Molecular Weight (g/mol) 206.29
ChEBI CHEBI:5855
MDL Number MFCD00010393
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
Synonym ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen
IUPAC Name 2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-UHFFFAOYNA-N
Molecular Formula C13H18O2
7

Thermo Scientific Chemicals trans-Cinnamaldehyde, 99%

CAS: 14371-10-9 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 MDL Number: MFCD00007000 InChI Key: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Synonym: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 SMILES: O=C\C=C\C1=CC=CC=C1

PubChem CID 637511
CAS 14371-10-9
Molecular Weight (g/mol) 132.16
ChEBI CHEBI:16731
MDL Number MFCD00007000
SMILES O=C\C=C\C1=CC=CC=C1
Synonym cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal
InChI Key KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Molecular Formula C9H8O
8

Thermo Scientific Chemicals Curcumin, 95% (total curcuminoid content), from Turmeric rhizome

CAS: 458-37-7 Molecular Formula: C21H20O6 Molecular Weight (g/mol): 368.39 MDL Number: MFCD00008365 InChI Key: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Synonym: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O

PubChem CID 969516
CAS 458-37-7
Molecular Weight (g/mol) 368.39
ChEBI CHEBI:3962
MDL Number MFCD00008365
SMILES COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
Synonym curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i
IUPAC Name (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
InChI Key ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Molecular Formula C21H20O6
9

Thermo Scientific Chemicals Doxorubicin hydrochloride

CAS: 25316-40-9 Molecular Formula: C27H30ClNO11 Molecular Weight (g/mol): 579.98 MDL Number: MFCD00077757,MFCD00077757,MFCD00941448 InChI Key: MWWSFMDVAYGXBV-FGBJBKNOSA-N Synonym: doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs PubChem CID: 129626538 IUPAC Name: hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride SMILES: [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O

PubChem CID 129626538
CAS 25316-40-9
Molecular Weight (g/mol) 579.98
MDL Number MFCD00077757,MFCD00077757,MFCD00941448
SMILES [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O
Synonym doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs
IUPAC Name hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride
InChI Key MWWSFMDVAYGXBV-FGBJBKNOSA-N
Molecular Formula C27H30ClNO11
10

Thermo Scientific Chemicals Quercetin hydrate, 95%

CAS: 849061-97-8 Molecular Formula: C15H10O7 Molecular Weight (g/mol): 302.24 MDL Number: MFCD03847906 InChI Key: REFJWTPEDVJJIY-UHFFFAOYSA-N Synonym: quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate PubChem CID: 16212154 IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate SMILES: OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1

PubChem CID 16212154
CAS 849061-97-8
Molecular Weight (g/mol) 302.24
MDL Number MFCD03847906
SMILES OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
Synonym quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate
IUPAC Name 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate
InChI Key REFJWTPEDVJJIY-UHFFFAOYSA-N
Molecular Formula C15H10O7
11

Thermo Scientific Chemicals 1,3-Diphenylacetone, 99%

CAS: 102-04-5 Molecular Formula: C15H14O Molecular Weight (g/mol): 210.28 MDL Number: MFCD00004795 InChI Key: YFKBXYGUSOXJGS-UHFFFAOYSA-N Synonym: 1,3-diphenylacetone,dibenzyl ketone,1,3-diphenyl-2-propanone,benzyl ketone,2-propanone, 1,3-diphenyl,1,3-diphenylpropanone,alpha,alpha'-diphenylacetone,1,3-diphenyl-propan-2-one,unii-9y07g5udkq,fema no. 2397 PubChem CID: 7593 IUPAC Name: 1,3-diphenylpropan-2-one SMILES: O=C(CC1=CC=CC=C1)CC1=CC=CC=C1

PubChem CID 7593
CAS 102-04-5
Molecular Weight (g/mol) 210.28
MDL Number MFCD00004795
SMILES O=C(CC1=CC=CC=C1)CC1=CC=CC=C1
Synonym 1,3-diphenylacetone,dibenzyl ketone,1,3-diphenyl-2-propanone,benzyl ketone,2-propanone, 1,3-diphenyl,1,3-diphenylpropanone,alpha,alpha'-diphenylacetone,1,3-diphenyl-propan-2-one,unii-9y07g5udkq,fema no. 2397
IUPAC Name 1,3-diphenylpropan-2-one
InChI Key YFKBXYGUSOXJGS-UHFFFAOYSA-N
Molecular Formula C15H14O
12

(S)-(+)-Ibuprofen, 99%, Thermo Scientific Chemicals

CAS: 51146-56-6 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.28 MDL Number: MFCD00069289 InChI Key: HEFNNWSXXWATRW-JTQLQIEISA-N Synonym: s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil PubChem CID: 39912 ChEBI: CHEBI:43415 IUPAC Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O

PubChem CID 39912
CAS 51146-56-6
Molecular Weight (g/mol) 206.28
ChEBI CHEBI:43415
MDL Number MFCD00069289
SMILES CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
Synonym s-+-ibuprofen,dexibuprofen,s +-ibuprofen,s-2-4-isobutylphenyl propanoic acid,s-ibuprofen,d-ibuproten,s-+-2-4-isobutylphenyl propionic acid,s-+-4-isobutyl-alpha-methylphenylacetic acid,+-s-p-isobutylhydratropic acid,seractil
IUPAC Name (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI Key HEFNNWSXXWATRW-JTQLQIEISA-N
Molecular Formula C13H18O2
13

Thermo Scientific Chemicals Paraffin, liquid, pure

CAS: 8012-95-1 Molecular Formula: MFCD00131611 Molecular Weight (g/mol): 0.00 MDL Number: MFCD00131611 InChI Key: FFNDMZIBVDSQFI-UHFFFAOYSA-N Synonym: delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride PubChem CID: 68245 ChEBI: CHEBI:38701 IUPAC Name: 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride SMILES: *

PubChem CID 68245
CAS 8012-95-1
Molecular Weight (g/mol) 0.00
ChEBI CHEBI:38701
MDL Number MFCD00131611
SMILES *
Synonym delphinidin chloride,delphinidin,delphinidine,delphinidol,ephdine,delfinidol chloride,unii-em6md4aehe,ccris 2518,em6md4aehe,3,5,7-trihydroxy-2-3,4,5-trihydroxyphenyl benzopyrylium chloride
IUPAC Name 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol;chloride
InChI Key FFNDMZIBVDSQFI-UHFFFAOYSA-N
Molecular Formula MFCD00131611
14

Thermo Scientific Chemicals Chlortetracycline hydrochloride

CAS: 64-72-2 Molecular Formula: C22H24Cl2N2O8 Molecular Weight (g/mol): 515.34 MDL Number: MFCD00082440 InChI Key: QYAPHLRPFNSDNH-CIVPRPTRSA-N Synonym: chlortetracycline hydrochloride,4-epi-chlortetracycline hydrochloride,2-amino hydroxy methylidene-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride,2-azanyl oxidanyl methylidene-7-chloranyl-4-dimethylamino-6-methyl-6,10,11,12a-tetrakis oxidanyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride PubChem CID: 66577600 IUPAC Name: (4S,4aR,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride SMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl

PubChem CID 66577600
CAS 64-72-2
Molecular Weight (g/mol) 515.34
MDL Number MFCD00082440
SMILES CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.Cl
Synonym chlortetracycline hydrochloride,4-epi-chlortetracycline hydrochloride,2-amino hydroxy methylidene-7-chloro-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride,2-azanyl oxidanyl methylidene-7-chloranyl-4-dimethylamino-6-methyl-6,10,11,12a-tetrakis oxidanyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride
IUPAC Name (4S,4aR,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride
InChI Key QYAPHLRPFNSDNH-CIVPRPTRSA-N
Molecular Formula C22H24Cl2N2O8
15

Thermo Scientific Chemicals 7-Hydroxycoumarin, 99%

CAS: 93-35-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006878 InChI Key: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon PubChem CID: 5281426 ChEBI: CHEBI:27510 SMILES: OC1=CC=C2C=CC(=O)OC2=C1

PubChem CID 5281426
CAS 93-35-6
Molecular Weight (g/mol) 162.14
ChEBI CHEBI:27510
MDL Number MFCD00006878
SMILES OC1=CC=C2C=CC(=O)OC2=C1
Synonym 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon
InChI Key ORHBXUUXSCNDEV-UHFFFAOYSA-N
Molecular Formula C9H6O3