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83326-76-5 | Benzoic acid, 2-hydroxy-6-pentyl-
CAS No: 83326-76-5 Catalog No: AG004STR MDL No:
Product Description
Catalog Number:
AG004STR
Chemical Name:
Benzoic acid, 2-hydroxy-6-pentyl-
CAS Number:
83326-76-5
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
2-hydroxy-6-pentylbenzoic acid
InChI:
InChI=1S/C12H16O3/c1-2-3-4-6-9-7-5-8-10(13)11(9)12(14)15/h5,7-8,13H,2-4,6H2,1H3,(H,14,15)
InChI Key:
GJBOYRMLZVRMDE-UHFFFAOYSA-N
SMILES:
CCCCCc1cccc(c1C(=O)O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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