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30762-15-3 | Benzoic acid, 3-hexyl-2-hydroxy-
CAS No: 30762-15-3 Catalog No: AG00317X MDL No:
Product Description
Catalog Number:
AG00317X
Chemical Name:
Benzoic acid, 3-hexyl-2-hydroxy-
CAS Number:
30762-15-3
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
3-hexyl-2-hydroxybenzoic acid
InChI:
InChI=1S/C13H18O3/c1-2-3-4-5-7-10-8-6-9-11(12(10)14)13(15)16/h6,8-9,14H,2-5,7H2,1H3,(H,15,16)
InChI Key:
WJCRKKDULZQKDB-UHFFFAOYSA-N
SMILES:
CCCCCCc1cccc(c1O)C(=O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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