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667939-97-1 | 3-Buten-2-one,4-(1-methyl-1H-imidazol-2-yl)-(9CI)
CAS No: 667939-97-1 Catalog No: AG00FLYO MDL No:
Product Description
Catalog Number:
AG00FLYO
Chemical Name:
3-Buten-2-one,4-(1-methyl-1H-imidazol-2-yl)-(9CI)
CAS Number:
667939-97-1
IUPAC Name:
(E)-4-(1-methylimidazol-2-yl)but-3-en-2-one
InChI:
InChI=1S/C8H10N2O/c1-7(11)3-4-8-9-5-6-10(8)2/h3-6H,1-2H3/b4-3+
InChI Key:
SFLOSYVYOAXYGL-ONEGZZNKSA-N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
150.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.181g/mol
Monoisotopic Mass:
150.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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