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Home > Nitro Compounds > 80413-74-7
80413-74-7 | Urea,N'-cyclopentyl-N-methyl-N-nitroso-
CAS No: 80413-74-7 Catalog No: AG005LZ8 MDL No:
Product Description
Catalog Number:
AG005LZ8
Chemical Name:
Urea,N'-cyclopentyl-N-methyl-N-nitroso-
CAS Number:
80413-74-7
Molecular Formula:
C7H13N3O2
Molecular Weight:
171.1970
IUPAC Name:
3-cyclopentyl-1-methyl-1-nitrosourea
InChI:
InChI=1S/C7H13N3O2/c1-10(9-12)7(11)8-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,8,11)
InChI Key:
YHISWHDZRLKPAB-UHFFFAOYSA-N
SMILES:
O=NN(C(=O)NC1CCCC1)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.101g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.2g/mol
Monoisotopic Mass:
171.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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