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138659-49-1 | Hexanoic acid, 6-amino-, phosphate (1:1)
CAS No: 138659-49-1 Catalog No: AG0018Z5 MDL No:
Product Description
Catalog Number:
AG0018Z5
Chemical Name:
Hexanoic acid, 6-amino-, phosphate (1:1)
CAS Number:
138659-49-1
Molecular Formula:
C6H16NO6P
Molecular Weight:
229.1681
IUPAC Name:
6-aminohexanoic acid;phosphoric acid
InChI:
InChI=1S/C6H13NO2.H3O4P/c7-5-3-1-2-4-6(8)9;1-5(2,3)4/h1-5,7H2,(H,8,9);(H3,1,2,3,4)
InChI Key:
GTQWLEYOZXFEFT-UHFFFAOYSA-N
SMILES:
OP(=O)(O)O.NCCCCCC(=O)O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
229.169g/mol
Monoisotopic Mass:
229.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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