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178765-48-5 | 2-Propenoic acid, 3-(2-hydroxy-3,5-dimethylphenyl)-, methyl ester
CAS No: 178765-48-5 Catalog No: AG0026AT MDL No:
Product Description
Catalog Number:
AG0026AT
Chemical Name:
2-Propenoic acid, 3-(2-hydroxy-3,5-dimethylphenyl)-, methyl ester
CAS Number:
178765-48-5
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
methyl 3-(2-hydroxy-3,5-dimethylphenyl)prop-2-enoate
InChI:
InChI=1S/C12H14O3/c1-8-6-9(2)12(14)10(7-8)4-5-11(13)15-3/h4-7,14H,1-3H3
InChI Key:
IPSMPCHVGUENEX-UHFFFAOYSA-N
SMILES:
COC(=O)C=Cc1cc(C)cc(c1O)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
2.6
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