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80540-56-3 | 2-Propenoic acid, 3-(4-chlorophenyl)-2-hydroxy-, methyl ester
CAS No: 80540-56-3 Catalog No: AG005KMR MDL No:
Product Description
Catalog Number:
AG005KMR
Chemical Name:
2-Propenoic acid, 3-(4-chlorophenyl)-2-hydroxy-, methyl ester
CAS Number:
80540-56-3
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
IUPAC Name:
methyl 3-(4-chlorophenyl)-2-hydroxyprop-2-enoate
InChI:
InChI=1S/C10H9ClO3/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7/h2-6,12H,1H3
InChI Key:
WSDMNWCUUQUFBS-UHFFFAOYSA-N
SMILES:
COC(=O)C(=Cc1ccc(cc1)Cl)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.629g/mol
Monoisotopic Mass:
212.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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