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89543-23-7 | 2-Butenoic acid, 2-chloro-4-(cyclopropylamino)-4-oxo-, (E)-
CAS No: 89543-23-7 Catalog No: AG0040H9 MDL No:
Product Description
Catalog Number:
AG0040H9
Chemical Name:
2-Butenoic acid, 2-chloro-4-(cyclopropylamino)-4-oxo-, (E)-
CAS Number:
89543-23-7
Molecular Formula:
C7H8ClNO3
Molecular Weight:
189.5963
IUPAC Name:
2-chloro-4-(cyclopropylamino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C7H8ClNO3/c8-5(7(11)12)3-6(10)9-4-1-2-4/h3-4H,1-2H2,(H,9,10)(H,11,12)
InChI Key:
XVEZRFNNRQBNNQ-UHFFFAOYSA-N
SMILES:
O=C(/C=C(\C(=O)O)/Cl)NC1CC1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.595g/mol
Monoisotopic Mass:
189.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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