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

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

CAS No.:
79669-18-4
Catalog Number:
AG00G9W4
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
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Product Description
Catalog Number:
AG00G9W4
Chemical Name:
3-(3-chloro-4-hydroxyphenyl)propanoic acid
CAS Number:
79669-18-4
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD16075091
IUPAC Name:
3-(3-chloro-4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H9ClO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1,3,5,11H,2,4H2,(H,12,13)
InChI Key:
WCFMGDDKGCCBRK-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(c(c1)Cl)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:
2  
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties