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86840-99-5 | Benzoic acid, 2-hydroxy-4-(octyloxy)-
CAS No: 86840-99-5 Catalog No: AG004IQI MDL No:
Product Description
Catalog Number:
AG004IQI
Chemical Name:
Benzoic acid, 2-hydroxy-4-(octyloxy)-
CAS Number:
86840-99-5
Molecular Formula:
C15H22O4
Molecular Weight:
266.3328
IUPAC Name:
2-hydroxy-4-octoxybenzoic acid
InChI:
InChI=1S/C15H22O4/c1-2-3-4-5-6-7-10-19-12-8-9-13(15(17)18)14(16)11-12/h8-9,11,16H,2-7,10H2,1H3,(H,17,18)
InChI Key:
LFSMESHCYDMFKL-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(c(c1)O)C(=O)O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.337g/mol
Monoisotopic Mass:
266.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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