Home Aminos 2-Butenoic acid, 4-amino-, methyl ester, (E)-, trifluoroacetate

2-Butenoic acid, 4-amino-, methyl ester, (E)-, trifluoroacetate

CAS No.:
99281-88-6
Catalog Number:
AG00IMPD
Molecular Formula:
C7H10F3NO4
Molecular Weight:
229.1538
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Product Description
Catalog Number:
AG00IMPD
Chemical Name:
2-Butenoic acid, 4-amino-, methyl ester, (E)-, trifluoroacetate
CAS Number:
99281-88-6
Molecular Formula:
C7H10F3NO4
Molecular Weight:
229.1538
IUPAC Name:
methyl (E)-4-aminobut-2-enoate;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C5H9NO2.C2HF3O2/c1-8-5(7)3-2-4-6;3-2(4,5)1(6)7/h2-3H,4,6H2,1H3;(H,6,7)/b3-2+;
InChI Key:
QOPUSJRSVLGGIR-SQQVDAMQSA-N
SMILES:
OC(=O)C(F)(F)F.NC/C=C/C(=O)OC
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
229.056g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
229.155g/mol
Monoisotopic Mass:
229.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties