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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H16O3
Molecular Weight 280.3178
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENPROCOUMON, (R)-

SMILES

CC[C@H](C1=CC=CC=C1)C2=C(O)C3=C(OC2=O)C=CC=C3

InChI

InChIKey=DQDAYGNAKTZFIW-CYBMUJFWSA-N
InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H16O3
Molecular Weight 280.3178
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:29:50 GMT 2025
Edited
by admin
on Tue Apr 01 16:29:50 GMT 2025
Record UNII
Y513Q74WCG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENPROCOUMON, (R)-
Common Name English
(+)-PHENPROCOUMON
Preferred Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-(1-PHENYLPROPYL)-, (R)-
Common Name English
(R)-PHENPROCOUMON
Common Name English
COUMARIN, 3-(.ALPHA.-ETHYLBENZYL)-4-HYDROXY-, (R)-(+)-
Common Name English
2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-3-((1R)-1-PHENYLPROPYL)-
Systematic Name English
(R)-(+)-PHENPROCOUMON
Common Name English
Code System Code Type Description
FDA UNII
Y513Q74WCG
Created by admin on Tue Apr 01 16:29:50 GMT 2025 , Edited by admin on Tue Apr 01 16:29:50 GMT 2025
PRIMARY
CAS
5999-27-9
Created by admin on Tue Apr 01 16:29:50 GMT 2025 , Edited by admin on Tue Apr 01 16:29:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID80975409
Created by admin on Tue Apr 01 16:29:50 GMT 2025 , Edited by admin on Tue Apr 01 16:29:50 GMT 2025
PRIMARY
PUBCHEM
54681545
Created by admin on Tue Apr 01 16:29:50 GMT 2025 , Edited by admin on Tue Apr 01 16:29:50 GMT 2025
PRIMARY
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