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151539-18-3 | 2-Propenoic acid, 3-(4-methoxy-2,3-dimethylphenyl)-, (E)- (9CI)
CAS No: 151539-18-3 Catalog No: AG001NE8 MDL No:
Product Description
Catalog Number:
AG001NE8
Chemical Name:
2-Propenoic acid, 3-(4-methoxy-2,3-dimethylphenyl)-, (E)- (9CI)
CAS Number:
151539-18-3
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
(E)-3-(4-methoxy-2,3-dimethylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C12H14O3/c1-8-9(2)11(15-3)6-4-10(8)5-7-12(13)14/h4-7H,1-3H3,(H,13,14)/b7-5+
InChI Key:
NLBZFUNXIYHKBV-FNORWQNLSA-N
SMILES:
COc1ccc(c(c1C)C)/C=C/C(=O)O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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