Home Halogens 3-(4-chloro-3-methoxyphenyl)propanoic acid

3-(4-chloro-3-methoxyphenyl)propanoic acid

CAS No.:
475654-42-3
Catalog Number:
AG01A1I9
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
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Product Description
Catalog Number:
AG01A1I9
Chemical Name:
3-(4-chloro-3-methoxyphenyl)propanoic acid
CAS Number:
475654-42-3
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
MDL Number:
MFCD18393619
IUPAC Name:
3-(4-chloro-3-methoxyphenyl)propanoic acid
InChI:
InChI=1S/C10H11ClO3/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChI Key:
UPDMPFIWZPUFKG-UHFFFAOYSA-N
SMILES:
COc1cc(CCC(=O)O)ccc1Cl
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  
Properties