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1261521-17-8 | Benzenepropanoic acid, 3-chloro-5-methoxy-
CAS No: 1261521-17-8 Catalog No: AG000RT9 MDL No:
Product Description
Catalog Number:
AG000RT9
Chemical Name:
Benzenepropanoic acid, 3-chloro-5-methoxy-
CAS Number:
1261521-17-8
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
IUPAC Name:
3-(3-chloro-5-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H11ClO3/c1-14-9-5-7(2-3-10(12)13)4-8(11)6-9/h4-6H,2-3H2,1H3,(H,12,13)
InChI Key:
OXWVHTGSOBXWKB-UHFFFAOYSA-N
SMILES:
COc1cc(CCC(=O)O)cc(c1)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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