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89393-42-0 | Benzoic acid, 2-butyl-3-(hydroxyphenylmethyl)-
CAS No: 89393-42-0 Catalog No: AG003WJW MDL No:
Product Description
Catalog Number:
AG003WJW
Chemical Name:
Benzoic acid, 2-butyl-3-(hydroxyphenylmethyl)-
CAS Number:
89393-42-0
Molecular Formula:
C18H20O3
Molecular Weight:
284.3496
IUPAC Name:
2-butyl-3-[hydroxy(phenyl)methyl]benzoic acid
InChI:
InChI=1S/C18H20O3/c1-2-3-10-14-15(11-7-12-16(14)18(20)21)17(19)13-8-5-4-6-9-13/h4-9,11-12,17,19H,2-3,10H2,1H3,(H,20,21)
InChI Key:
DJRWHLPFRMASKV-UHFFFAOYSA-N
SMILES:
CCCCc1c(cccc1C(c1ccccc1)O)C(=O)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.355g/mol
Monoisotopic Mass:
284.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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