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86960-46-5 | 4-decanoyloxybenzoic acid
CAS No: 86960-46-5 Catalog No: AG00367N MDL No:
Product Description
Catalog Number:
AG00367N
Chemical Name:
4-decanoyloxybenzoic acid
CAS Number:
86960-46-5
Molecular Formula:
C17H24O4
Molecular Weight:
292.3701
IUPAC Name:
4-decanoyloxybenzoic acid
InChI:
InChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-9-16(18)21-15-12-10-14(11-13-15)17(19)20/h10-13H,2-9H2,1H3,(H,19,20)
InChI Key:
QTMHHQFADWIZCP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)Oc1ccc(cc1)C(=O)O
EC Number:
617-941-3
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.375g/mol
Monoisotopic Mass:
292.167g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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