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2019-34-3

2019-34-3 | 3-(4-Chlorophenyl)propanoic acid

CAS No: 2019-34-3 Catalog No: AG0038W9 MDL No:MFCD00016555

Product Description

Catalog Number:
AG0038W9
Chemical Name:
3-(4-Chlorophenyl)propanoic acid
CAS Number:
2019-34-3
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD00016555
IUPAC Name:
3-(4-chlorophenyl)propanoic acid
InChI:
InChI=1S/C9H9ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChI Key:
BBSLOKZINKEUCR-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(cc1)Cl

Properties

Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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