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18189-07-6 | Benzoic acid, 2-amino-, decyl ester
CAS No: 18189-07-6 Catalog No: AG002379 MDL No:
Product Description
Catalog Number:
AG002379
Chemical Name:
Benzoic acid, 2-amino-, decyl ester
CAS Number:
18189-07-6
Molecular Formula:
C17H27NO2
Molecular Weight:
277.4018
IUPAC Name:
decyl 2-aminobenzoate
InChI:
InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-11-14-20-17(19)15-12-9-10-13-16(15)18/h9-10,12-13H,2-8,11,14,18H2,1H3
InChI Key:
NMXZJPNAJUDMAC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)c1ccccc1N
EC Number:
242-077-5
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.204g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.408g/mol
Monoisotopic Mass:
277.204g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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