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114261-74-4 | 2-Propen-1-one, 3-(dimethylamino)-1-oxiranyl-, (2E)- (9CI)
CAS No: 114261-74-4 Catalog No: AG000AX3 MDL No:
Product Description
Catalog Number:
AG000AX3
Chemical Name:
2-Propen-1-one, 3-(dimethylamino)-1-oxiranyl-, (2E)- (9CI)
CAS Number:
114261-74-4
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
3-(dimethylamino)-1-(oxiran-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C7H11NO2/c1-8(2)4-3-6(9)7-5-10-7/h3-4,7H,5H2,1-2H3
InChI Key:
VVBRMYSZWUCZAF-UHFFFAOYSA-N
SMILES:
CN(/C=C/C(=O)C1OC1)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0
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