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79448-08-1 | Butanoic acid, 4-[(3-hydroxypropyl)nitrosoamino]-
CAS No: 79448-08-1 Catalog No: AG0051U8 MDL No:
Product Description
Catalog Number:
AG0051U8
Chemical Name:
Butanoic acid, 4-[(3-hydroxypropyl)nitrosoamino]-
CAS Number:
79448-08-1
Molecular Formula:
C7H14N2O4
Molecular Weight:
190.1971
IUPAC Name:
4-[3-hydroxypropyl(nitroso)amino]butanoic acid
InChI:
InChI=1S/C7H14N2O4/c10-6-2-5-9(8-13)4-1-3-7(11)12/h10H,1-6H2,(H,11,12)
InChI Key:
GYAOMXMOVMVRHW-UHFFFAOYSA-N
SMILES:
OCCCN(CCCC(=O)O)N=O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.199g/mol
Monoisotopic Mass:
190.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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