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82212-73-5 | 4-Pentenoic acid, 2-amino-2-(fluoromethyl)-, methyl ester
CAS No: 82212-73-5 Catalog No: AG0056FM MDL No:
Product Description
Catalog Number:
AG0056FM
Chemical Name:
4-Pentenoic acid, 2-amino-2-(fluoromethyl)-, methyl ester
CAS Number:
82212-73-5
Molecular Formula:
C7H12FNO2
Molecular Weight:
161.1741
IUPAC Name:
methyl 2-amino-2-(fluoromethyl)pent-4-enoate
InChI:
InChI=1S/C7H12FNO2/c1-3-4-7(9,5-8)6(10)11-2/h3H,1,4-5,9H2,2H3
InChI Key:
MWXUYLPTRNHGDG-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)OC)(CF)N
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.176g/mol
Monoisotopic Mass:
161.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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