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21640-48-2

21640-48-2 | Benzenepropanoic acid,3-chloro-

CAS No: 21640-48-2 Catalog No: AG0038VW MDL No:MFCD01310801

Product Description

Catalog Number:
AG0038VW
Chemical Name:
Benzenepropanoic acid,3-chloro-
CAS Number:
21640-48-2
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD01310801
IUPAC Name:
3-(3-chlorophenyl)propanoic acid
InChI:
InChI=1S/C9H9ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChI Key:
CLTDVBQNUHHYCA-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc(c1)Cl

Properties

Complexity:
159  
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:
2.3  

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