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175738-21-3 | Heptanoic acid, 2-amino-7-(hydroxyamino)-7-imino-
CAS No: 175738-21-3 Catalog No: AG00215Q MDL No:
Product Description
Catalog Number:
AG00215Q
Chemical Name:
Heptanoic acid, 2-amino-7-(hydroxyamino)-7-imino-
CAS Number:
175738-21-3
Molecular Formula:
C7H15N3O3
Molecular Weight:
189.2123
IUPAC Name:
2,7-diamino-7-hydroxyiminoheptanoic acid
InChI:
InChI=1S/C7H15N3O3/c8-5(7(11)12)3-1-2-4-6(9)10-13/h5,13H,1-4,8H2,(H2,9,10)(H,11,12)
InChI Key:
QXXVIWFWQYQZFS-UHFFFAOYSA-N
SMILES:
ONC(=N)CCCCC(C(=O)O)N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
189.215g/mol
Monoisotopic Mass:
189.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-3.2
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