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14160-71-5 | Benzoic acid, 5-ethoxy-2-hydroxy-
CAS No: 14160-71-5 Catalog No: AG001GOH MDL No:MFCD00016503
Product Description
Catalog Number:
AG001GOH
Chemical Name:
Benzoic acid, 5-ethoxy-2-hydroxy-
CAS Number:
14160-71-5
Molecular Formula:
C9H10O4
Molecular Weight:
182.1733
MDL Number:
MFCD00016503
IUPAC Name:
5-ethoxy-2-hydroxybenzoic acid
InChI:
InChI=1S/C9H10O4/c1-2-13-6-3-4-8(10)7(5-6)9(11)12/h3-5,10H,2H2,1H3,(H,11,12)
InChI Key:
ZZKFPIOJAOEMQL-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)C(=O)O)O
EC Number:
238-004-1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.175g/mol
Monoisotopic Mass:
182.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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