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188896-01-7

188896-01-7 | 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-2-hydroxy-, methyl ester

CAS No: 188896-01-7 Catalog No: AG002HGU MDL No:

Product Description

Catalog Number:
AG002HGU
Chemical Name:
2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-2-hydroxy-, methyl ester
CAS Number:
188896-01-7
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
IUPAC Name:
methyl 3-(3,4-dimethoxyphenyl)-2-hydroxyprop-2-enoate
InChI:
InChI=1S/C12H14O5/c1-15-10-5-4-8(7-11(10)16-2)6-9(13)12(14)17-3/h4-7,13H,1-3H3
InChI Key:
VXGYOUDTGORREO-UHFFFAOYSA-N
SMILES:
COC(=O)C(=Cc1ccc(c(c1)OC)OC)O

Properties

Complexity:
287  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.6  

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