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1261730-36-2 | Benzenepropanoic acid, 3-chloro-5-hydroxy-
CAS No: 1261730-36-2 Catalog No: AG000RZ5 MDL No:
Product Description
Catalog Number:
AG000RZ5
Chemical Name:
Benzenepropanoic acid, 3-chloro-5-hydroxy-
CAS Number:
1261730-36-2
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
IUPAC Name:
3-(3-chloro-5-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H9ClO3/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h3-5,11H,1-2H2,(H,12,13)
InChI Key:
AEWLGOJBKRCCAZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(O)cc(c1)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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