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131469-67-5 | Benzenepropanoic acid, 4-chloro-β-hydroxy-α-methylene-, methyl ester
CAS No: 131469-67-5 Catalog No: AG000W8I MDL No:
Product Description
Catalog Number:
AG000W8I
Chemical Name:
Benzenepropanoic acid, 4-chloro-β-hydroxy-α-methylene-, methyl ester
CAS Number:
131469-67-5
Molecular Formula:
C11H11ClO3
Molecular Weight:
226.6562
IUPAC Name:
methyl 2-[(4-chlorophenyl)-hydroxymethyl]prop-2-enoate
InChI:
InChI=1S/C11H11ClO3/c1-7(11(14)15-2)10(13)8-3-5-9(12)6-4-8/h3-6,10,13H,1H2,2H3
InChI Key:
GBKHNNKNMGBHSY-UHFFFAOYSA-N
SMILES:
COC(=O)C(=C)C(c1ccc(cc1)Cl)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.656g/mol
Monoisotopic Mass:
226.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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