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114444-98-3 | Urea, N-3-buten-1-yl-N'-methyl-
CAS No: 114444-98-3 Catalog No: AG000EET MDL No:
Product Description
Catalog Number:
AG000EET
Chemical Name:
Urea, N-3-buten-1-yl-N'-methyl-
CAS Number:
114444-98-3
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
IUPAC Name:
1-but-3-enyl-3-methylurea
InChI:
InChI=1S/C6H12N2O/c1-3-4-5-8-6(9)7-2/h3H,1,4-5H2,2H3,(H2,7,8,9)
InChI Key:
KJSSBDGIOQBVPD-UHFFFAOYSA-N
SMILES:
CNC(=O)NCCC=C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.175g/mol
Monoisotopic Mass:
128.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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