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1190-91-6 | 3-Buten-2-one, 4-(dimethylamino)-
CAS No: 1190-91-6 Catalog No: AG000P1G MDL No:
Product Description
Catalog Number:
AG000P1G
Chemical Name:
3-Buten-2-one, 4-(dimethylamino)-
CAS Number:
1190-91-6
Molecular Formula:
C6H11NO
Molecular Weight:
113.1576
IUPAC Name:
(E)-4-(dimethylamino)but-3-en-2-one
InChI:
InChI=1S/C6H11NO/c1-6(8)4-5-7(2)3/h4-5H,1-3H3/b5-4+
InChI Key:
QPWSKIGAQZAJKS-SNAWJCMRSA-N
SMILES:
CN(C=CC(=O)C)C
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
113.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
113.16g/mol
Monoisotopic Mass:
113.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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