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621-54-5 | 3-(3-Hydroxyphenyl)propanoic acid
CAS No: 621-54-5 Catalog No: AG0033GD MDL No:MFCD00016554
Product Description
Catalog Number:
AG0033GD
Chemical Name:
3-(3-Hydroxyphenyl)propanoic acid
CAS Number:
621-54-5
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00016554
IUPAC Name:
3-(3-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
InChI Key:
QVWAEZJXDYOKEH-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cccc(c1)O
EC Number:
210-692-8
UNII:
FJ68OF1P7C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
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