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102250-75-9 | 2-Butenoic acid, 4-(diethylamino)-4-oxo-, methyl ester, (2E)-
CAS No: 102250-75-9 Catalog No: AG00071P MDL No:
Product Description
Catalog Number:
AG00071P
Chemical Name:
2-Butenoic acid, 4-(diethylamino)-4-oxo-, methyl ester, (2E)-
CAS Number:
102250-75-9
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
methyl 4-(diethylamino)-4-oxobut-2-enoate
InChI:
InChI=1S/C9H15NO3/c1-4-10(5-2)8(11)6-7-9(12)13-3/h6-7H,4-5H2,1-3H3
InChI Key:
WVSNZMLUPSASPT-UHFFFAOYSA-N
SMILES:
CCN(C(=O)/C=C/C(=O)OC)CC
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.6
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