Home Amines 113467-97-3
113467-97-3,MFCD00086001
Catalog No.:AA0008M7
113467-97-3 | 2-Butenoic acid, 4-(cyclohexylamino)-4-oxo-, (E)- (9CI)
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Technical Information
Catalog Number:
AA0008M7
Chemical Name:
2-Butenoic acid, 4-(cyclohexylamino)-4-oxo-, (E)- (9CI)
CAS Number:
113467-97-3
Molecular Formula:
C10H15NO3
Molecular Weight:
197.2310
MDL Number:
MFCD00086001
IUPAC Name:
4-(cyclohexylamino)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C10H15NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,12)(H,13,14)
InChI Key:
DEWAGGNAHQGYBD-UHFFFAOYSA-N
SMILES:
O=C(NC1CCCCC1)/C=C/C(=O)O
Properties
Computed Properties
 
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.105g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
197.234g/mol
Monoisotopic Mass:
197.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.1  

Synonyms
 
113467-97-3 
2-Butenoic acid, 4-(cyclohexylamino)-4-oxo-, (E)- 
3-(Cyclohexylcarbamoyl)acrylic acid 
CID286505 
NSC144955 
(Z)-4-(cyclohexylamino)-4-oxobut-2-enoic acid 
21477-59-8 
24564-83-8 
4-(cyclohexylamino)-4-oxobut-2-enoic acid 
(E)-4-(cyclohexylamino)-4-oxo-2-butenoic acid 
ACMC-20mib5 
AC1L65D8 
CTK0C9488 
AKOS030240587 
MCULE-7753794014 
KS-0000202B 
Literature
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