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77382-83-3 | 4-[(5-hydroxypentyl)(nitroso)amino]butanoic acid
CAS No: 77382-83-3 Catalog No: AG005BMG MDL No:
Product Description
Catalog Number:
AG005BMG
Chemical Name:
4-[(5-hydroxypentyl)(nitroso)amino]butanoic acid
CAS Number:
77382-83-3
Molecular Formula:
C9H18N2O4
Molecular Weight:
218.2502
IUPAC Name:
4-[5-hydroxypentyl(nitroso)amino]butanoic acid
InChI:
InChI=1S/C9H18N2O4/c12-8-3-1-2-6-11(10-15)7-4-5-9(13)14/h12H,1-8H2,(H,13,14)
InChI Key:
SHYLUGLHBNBYLU-UHFFFAOYSA-N
SMILES:
OCCCCCN(CCCC(=O)O)N=O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.253g/mol
Monoisotopic Mass:
218.127g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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