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116308-58-8 | 2-Butenedioic acid, 2-(diethylamino)-, diethyl ester, (2E)- (9CI)
CAS No: 116308-58-8 Catalog No: AG000C6E MDL No:
Product Description
Catalog Number:
AG000C6E
Chemical Name:
2-Butenedioic acid, 2-(diethylamino)-, diethyl ester, (2E)- (9CI)
CAS Number:
116308-58-8
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
IUPAC Name:
diethyl 2-(diethylamino)but-2-enedioate
InChI:
InChI=1S/C12H21NO4/c1-5-13(6-2)10(12(15)17-8-4)9-11(14)16-7-3/h9H,5-8H2,1-4H3
InChI Key:
DWDOSGVYJUIERF-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C(\C(=O)OCC)/N(CC)CC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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