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137043-95-9 | Benzoic acid, 3-hydroxy-, decyl ester
CAS No: 137043-95-9 Catalog No: AG0012QW MDL No:
Product Description
Catalog Number:
AG0012QW
Chemical Name:
Benzoic acid, 3-hydroxy-, decyl ester
CAS Number:
137043-95-9
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
decyl 3-hydroxybenzoate
InChI:
InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-9-13-20-17(19)15-11-10-12-16(18)14-15/h10-12,14,18H,2-9,13H2,1H3
InChI Key:
AYHFBUYPXIMOTQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)c1cccc(c1)O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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