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13721-20-5 | Benzeneacetic acid, 3-chloro-4-methoxy-
CAS No: 13721-20-5 Catalog No: AG0012YS MDL No:MFCD02664697
Product Description
Catalog Number:
AG0012YS
Chemical Name:
Benzeneacetic acid, 3-chloro-4-methoxy-
CAS Number:
13721-20-5
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD02664697
IUPAC Name:
2-(3-chloro-4-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H9ClO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
OARWXDXELDVNOC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cl)CC(=O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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