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79448-16-1 | 3-[(4-hydroxypentyl)(nitroso)amino]propanoic acid
CAS No: 79448-16-1 Catalog No: AG0051U5 MDL No:
Product Description
Catalog Number:
AG0051U5
Chemical Name:
3-[(4-hydroxypentyl)(nitroso)amino]propanoic acid
CAS Number:
79448-16-1
Molecular Formula:
C8H16N2O4
Molecular Weight:
204.2236
IUPAC Name:
3-[4-hydroxypentyl(nitroso)amino]propanoic acid
InChI:
InChI=1S/C8H16N2O4/c1-7(11)3-2-5-10(9-14)6-4-8(12)13/h7,11H,2-6H2,1H3,(H,12,13)
InChI Key:
OEEYUPJMAUKPOJ-UHFFFAOYSA-N
SMILES:
O=NN(CCC(=O)O)CCCC(O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.226g/mol
Monoisotopic Mass:
204.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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