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Details

Stereochemistry ACHIRAL
Molecular Formula C10H12O3
Molecular Weight 180.2005
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Hydroxybenzenepropanoic acid methyl ester

SMILES

COC(=O)CCC1=CC=C(O)C=C1

InChI

InChIKey=XRAMJHXWXCMGJM-UHFFFAOYSA-N
InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H12O3
Molecular Weight 180.2005
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Total synthesis of a norneolignan from Ratanhia radix.
2002 Dec
Detection, isolation and characterization of a root-exuded compound, methyl 3-(4-hydroxyphenyl) propionate, responsible for biological nitrification inhibition by sorghum (Sorghum bicolor).
2008
Methyl 3-(4-{6-methyl-4-[3-(trifluoro-meth-yl)phen-yl]pyridazin-3-yl-oxy}phen-yl)propanoate.
2008 May 10
Nitrification inhibition activity, a novel trait in root exudates of rice.
2010
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 20:24:44 GMT 2023
Edited
by admin
on Fri Dec 15 20:24:44 GMT 2023
Record UNII
WAT13AU7XB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Hydroxybenzenepropanoic acid methyl ester
Systematic Name English
Phloretic acid methyl ester
Common Name English
Hydrocinnamic acid, p-hydroxy-, methyl ester
Common Name English
3-(4-Hydroxyphenyl)propanoic acid methyl ester
Systematic Name English
Benzenepropanoic acid, 4-hydroxy-, methyl ester
Systematic Name English
Methyl phloretate
Common Name English
Code System Code Type Description
CAS
875738-58-2
Created by admin on Fri Dec 15 20:24:44 GMT 2023 , Edited by admin on Fri Dec 15 20:24:44 GMT 2023
SUPERSEDED
CAS
5597-50-2
Created by admin on Fri Dec 15 20:24:44 GMT 2023 , Edited by admin on Fri Dec 15 20:24:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID90204550
Created by admin on Fri Dec 15 20:24:44 GMT 2023 , Edited by admin on Fri Dec 15 20:24:44 GMT 2023
PRIMARY
CAS
1000398-40-2
Created by admin on Fri Dec 15 20:24:44 GMT 2023 , Edited by admin on Fri Dec 15 20:24:44 GMT 2023
SUPERSEDED
FDA UNII
WAT13AU7XB
Created by admin on Fri Dec 15 20:24:44 GMT 2023 , Edited by admin on Fri Dec 15 20:24:44 GMT 2023
PRIMARY
PUBCHEM
79706
Created by admin on Fri Dec 15 20:24:44 GMT 2023 , Edited by admin on Fri Dec 15 20:24:44 GMT 2023
PRIMARY