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3433-62-3 | 4-(Dimethylamino)-3-penten-2-one
CAS No: 3433-62-3 Catalog No: AG003AE4 MDL No:
Product Description
Catalog Number:
AG003AE4
Chemical Name:
4-(Dimethylamino)-3-penten-2-one
CAS Number:
3433-62-3
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
IUPAC Name:
(E)-4-(dimethylamino)pent-3-en-2-one
InChI:
InChI=1S/C7H13NO/c1-6(8(3)4)5-7(2)9/h5H,1-4H3/b6-5+
InChI Key:
VWAWSSXDECSJEB-AATRIKPKSA-N
SMILES:
CC(=O)C=C(N(C)C)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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