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Home > Imidazoles > 131213-45-1
131213-45-1 | 3-methylimidazolidin-4-one
CAS No: 131213-45-1 Catalog No: AG01AERJ MDL No:MFCD19223268
Product Description
Catalog Number:
AG01AERJ
Chemical Name:
3-methylimidazolidin-4-one
CAS Number:
131213-45-1
Molecular Formula:
C4H8N2O
Molecular Weight:
100.1191
MDL Number:
MFCD19223268
IUPAC Name:
3-methylimidazolidin-4-one
InChI:
InChI=1S/C4H8N2O/c1-6-3-5-2-4(6)7/h5H,2-3H2,1H3
InChI Key:
CWTDBXBAFSXFET-UHFFFAOYSA-N
SMILES:
O=C1CNCN1C
Properties
Complexity:
91.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.064g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
100.121g/mol
Monoisotopic Mass:
100.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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