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Details

Stereochemistry UNKNOWN
Molecular Formula C13H16O5
Molecular Weight 252.2631
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRENOCHAETIC ACID B

SMILES

COC1=CC(=CC(C)=C1C(=O)CC(C)O)C(O)=O

InChI

InChIKey=ISUCSLSQOIOUHP-UHFFFAOYSA-N
InChI=1S/C13H16O5/c1-7-4-9(13(16)17)6-11(18-3)12(7)10(15)5-8(2)14/h4,6,8,14H,5H2,1-3H3,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C13H16O5
Molecular Weight 252.2631
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:29:41 GMT 2023
Edited
by admin
on Sat Dec 16 09:29:41 GMT 2023
Record UNII
E75H7N97GX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PYRENOCHAETIC ACID B
Common Name English
BENZOIC ACID, 4-(3-HYDROXY-1-OXOBUTYL)-3-METHOXY-5-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
15856850
Created by admin on Sat Dec 16 09:29:41 GMT 2023 , Edited by admin on Sat Dec 16 09:29:41 GMT 2023
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FDA UNII
E75H7N97GX
Created by admin on Sat Dec 16 09:29:41 GMT 2023 , Edited by admin on Sat Dec 16 09:29:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID60578912
Created by admin on Sat Dec 16 09:29:41 GMT 2023 , Edited by admin on Sat Dec 16 09:29:41 GMT 2023
PRIMARY
CAS
79214-48-5
Created by admin on Sat Dec 16 09:29:41 GMT 2023 , Edited by admin on Sat Dec 16 09:29:41 GMT 2023
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