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1160-35-6 | Benzoic acid, 2-hydroxy-, dodecyl ester
CAS No: 1160-35-6 Catalog No: AG000BDD MDL No:
Product Description
Catalog Number:
AG000BDD
Chemical Name:
Benzoic acid, 2-hydroxy-, dodecyl ester
CAS Number:
1160-35-6
Molecular Formula:
C19H30O3
Molecular Weight:
306.4397
IUPAC Name:
dodecyl 2-hydroxybenzoate
InChI:
InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-22-19(21)17-14-11-12-15-18(17)20/h11-12,14-15,20H,2-10,13,16H2,1H3
InChI Key:
CJYBKFFVXWWBMY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)c1ccccc1O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.219g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.446g/mol
Monoisotopic Mass:
306.219g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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