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189875-75-0 | 2-Butenoic acid, 4-[[2-(4-morpholinyl)ethyl]amino]-4-oxo-
CAS No: 189875-75-0 Catalog No: AG002E2O MDL No:
Product Description
Catalog Number:
AG002E2O
Chemical Name:
2-Butenoic acid, 4-[[2-(4-morpholinyl)ethyl]amino]-4-oxo-
CAS Number:
189875-75-0
Molecular Formula:
C10H16N2O4
Molecular Weight:
228.2450
IUPAC Name:
4-(2-morpholin-4-ylethylamino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C10H16N2O4/c13-9(1-2-10(14)15)11-3-4-12-5-7-16-8-6-12/h1-2H,3-8H2,(H,11,13)(H,14,15)
InChI Key:
FHTNKHDZDFOFAB-UHFFFAOYSA-N
SMILES:
O=C(C=CC(=O)O)NCCN1CCOCC1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.248g/mol
Monoisotopic Mass:
228.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-3.3
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