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90097-10-2 | Urea, N-(4,5-dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)-N'-2-heptenyl-
CAS No: 90097-10-2 Catalog No: AG006JEI MDL No:
Product Description
Catalog Number:
AG006JEI
Chemical Name:
Urea, N-(4,5-dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)-N'-2-heptenyl-
CAS Number:
90097-10-2
Molecular Formula:
C12H20N4O2
Molecular Weight:
252.3128
IUPAC Name:
1-hept-2-enyl-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
InChI:
InChI=1S/C12H20N4O2/c1-3-4-5-6-7-8-13-12(18)15-11-14-10(17)9-16(11)2/h6-7H,3-5,8-9H2,1-2H3,(H2,13,14,15,17,18)
InChI Key:
CEEHNEOGUQOYNS-UHFFFAOYSA-N
SMILES:
CN1CC(=O)N=C1NC(=O)NCC=CCCCC
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.159g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.318g/mol
Monoisotopic Mass:
252.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.4
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