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13063-09-7

13063-09-7 | 2-Propenoic acid, 3-(2,4,6-trimethoxyphenyl)-

CAS No: 13063-09-7 Catalog No: AG000UQ9 MDL No:

Product Description

Catalog Number:
AG000UQ9
Chemical Name:
2-Propenoic acid, 3-(2,4,6-trimethoxyphenyl)-
CAS Number:
13063-09-7
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
IUPAC Name:
(E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C12H14O5/c1-15-8-6-10(16-2)9(4-5-12(13)14)11(7-8)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+
InChI Key:
NCPKRIPFNFIXOK-SNAWJCMRSA-N
SMILES:
COc1cc(OC)cc(c1C=CC(=O)O)OC

Properties

Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
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:
0
XLogP3:
1.8  

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