PYRENOCHAETIC ACID A

Stereochemistry	ACHIRAL
Molecular Formula	C13H14O4
Molecular Weight	234.2479
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0
Stereo Comments	Assumed E-isomer (MM2 minimum energy of E and Z are 50 and 57 kcal/mol respectively)

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

InChIKey=OVZSCDODFBUOPL-SNAWJCMRSA-N

InChI=1S/C13H14O4/c1-4-5-10(14)12-8(2)6-9(13(15)16)7-11(12)17-3/h4-7H,1-3H3,(H,15,16)/b5-4+

Name

Type

Language

BENZOIC ACID, 3-METHOXY-5-METHYL-4-(1-OXO-2-BUTENYL)-

Preferred Name

English

PYRENOCHAETIC ACID A

Common Name

English

Code System Code Type Description

FDA UNII

W0H0AYP1Q1

Created by admin on Mon Mar 31 19:56:00 GMT 2025 , Edited by admin on Mon Mar 31 19:56:00 GMT 2025

PRIMARY

CAS

79214-49-6

Created by admin on Mon Mar 31 19:56:00 GMT 2025 , Edited by admin on Mon Mar 31 19:56:00 GMT 2025

PRIMARY

PUBCHEM

6440630

Created by admin on Mon Mar 31 19:56:00 GMT 2025 , Edited by admin on Mon Mar 31 19:56:00 GMT 2025

PRIMARY

SUBSTANCE RECORD


					W0H0AYP1Q1