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113736-77-9

113736-77-9 | Benzoic acid, 2-amino-5-octyl-

CAS No: 113736-77-9 Catalog No: AG0009HV MDL No:

Product Description

Catalog Number:
AG0009HV
Chemical Name:
Benzoic acid, 2-amino-5-octyl-
CAS Number:
113736-77-9
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
2-amino-5-octylbenzoic acid
InChI:
InChI=1S/C15H23NO2/c1-2-3-4-5-6-7-8-12-9-10-14(16)13(11-12)15(17)18/h9-11H,2-8,16H2,1H3,(H,17,18)
InChI Key:
WWCVEHIVQBOHJI-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(c(c1)C(=O)O)N

Properties

Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

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