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102250-77-1 | 2-Butenoic acid, 4-(diethylamino)-4-oxo-, 1-methylethyl ester, (E)- (9CI)
CAS No: 102250-77-1 Catalog No: AG00071O MDL No:
Product Description
Catalog Number:
AG00071O
Chemical Name:
2-Butenoic acid, 4-(diethylamino)-4-oxo-, 1-methylethyl ester, (E)- (9CI)
CAS Number:
102250-77-1
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
IUPAC Name:
propan-2-yl 4-(diethylamino)-4-oxobut-2-enoate
InChI:
InChI=1S/C11H19NO3/c1-5-12(6-2)10(13)7-8-11(14)15-9(3)4/h7-9H,5-6H2,1-4H3
InChI Key:
XPJZOVXFHBDJPA-UHFFFAOYSA-N
SMILES:
CCN(C(=O)/C=C/C(=O)OC(C)C)CC
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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