Ethyl 3-(3,4-dimethoxyphenyl)propionate

HCID 222974
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
5462-13-5
Standard SMILES
CCOC(=O)CCc1ccc(OC)c(OC)c1
InChIKey
GFAGDEMAMZYNAI-UHFFFAOYSA-N
Molecular formula
C13H18O4
Average molar mass
238.28 g/mol
Monoisotopic mass
238.12050906

Names & identifiers

Preferred name
Ethyl 3-(3,4-dimethoxyphenyl)propionate
IUPAC
ethyl 3-(3,4-dimethoxyphenyl)propanoate
English name
3-(2-Methoxy-phenyl)-propionic acid ethyl ester
Molecular formula
C13H18O4
Molecular weight
238.28

Names & synonyms

Ethyl 3-(3,4-dimethoxyphenyl)propionate5462-13-5ethyl 3-(3,4-dimethoxyphenyl)propanoate63307-08-4MFCD00192143ETHYL3-(3,4-DIMETHOXYPHENYL)PROPIONATENSC10090SCHEMBL491276DTXSID60969886GFAGDEMAMZYNAI-UHFFFAOYSA-NNSC-10090AKOS008715822
Show more names
Benzenepropanoic acid, 3,4-dimethoxy-, ethyl ester
ethyl 3,4-di-(methoxy)-hydrocinnamateAS-12067DB-073300CS-0205195G67025

Database identifiers

CAS
5462-13-5
PubChem CID
222974
DTXSID
DTXSID60969886
Nikkaji
J886.502G

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
17

Physicochemical properties

Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers8 total

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…