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14604-65-0 | Hexanoic acid, 6-[(4-aminobenzoyl)amino]-
CAS No: 14604-65-0 Catalog No: AG001DNK MDL No:
Product Description
Catalog Number:
AG001DNK
Chemical Name:
Hexanoic acid, 6-[(4-aminobenzoyl)amino]-
CAS Number:
14604-65-0
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
IUPAC Name:
6-[(4-aminobenzoyl)amino]hexanoic acid
InChI:
InChI=1S/C13H18N2O3/c14-11-7-5-10(6-8-11)13(18)15-9-3-1-2-4-12(16)17/h5-8H,1-4,9,14H2,(H,15,18)(H,16,17)
InChI Key:
OTHMHRGFOHCWOM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)N)NCCCCCC(=O)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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