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13719-62-5 | Benzenepropanoic acid, 2-chloro-5-methoxy-
CAS No: 13719-62-5 Catalog No: AG0012XA MDL No:
Product Description
Catalog Number:
AG0012XA
Chemical Name:
Benzenepropanoic acid, 2-chloro-5-methoxy-
CAS Number:
13719-62-5
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
IUPAC Name:
3-(2-chloro-5-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H11ClO3/c1-14-8-3-4-9(11)7(6-8)2-5-10(12)13/h3-4,6H,2,5H2,1H3,(H,12,13)
InChI Key:
HEFHVVNONYBNBB-UHFFFAOYSA-N
SMILES:
COc1cc(CCC(=O)O)c(cc1)Cl
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.645g/mol
Monoisotopic Mass:
214.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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