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1261850-66-1 | Benzenepropanoic acid, 4-chloro-3-hydroxy-
CAS No: 1261850-66-1 Catalog No: AG000S1I MDL No:
Product Description
Catalog Number:
AG000S1I
Chemical Name:
Benzenepropanoic acid, 4-chloro-3-hydroxy-
CAS Number:
1261850-66-1
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
IUPAC Name:
3-(4-chloro-3-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H9ClO3/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,11H,2,4H2,(H,12,13)
InChI Key:
ZAZSRZKGHBEJPU-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1ccc(c(c1)O)Cl
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
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