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16094-28-3 | Benzoic acid, 2-hydroxy-3-(1-methylpropyl)-
CAS No: 16094-28-3 Catalog No: AG001VIN MDL No:
Product Description
Catalog Number:
AG001VIN
Chemical Name:
Benzoic acid, 2-hydroxy-3-(1-methylpropyl)-
CAS Number:
16094-28-3
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
3-butan-2-yl-2-hydroxybenzoic acid
InChI:
InChI=1S/C11H14O3/c1-3-7(2)8-5-4-6-9(10(8)12)11(13)14/h4-7,12H,3H2,1-2H3,(H,13,14)
InChI Key:
RVFNONSGQDLXJW-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1O)C(=O)O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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