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82212-71-3 | 4-Pentenoic acid, 2-amino-2-(fluoromethyl)-
CAS No: 82212-71-3 Catalog No: AG005H69 MDL No:
Product Description
Catalog Number:
AG005H69
Chemical Name:
4-Pentenoic acid, 2-amino-2-(fluoromethyl)-
CAS Number:
82212-71-3
Molecular Formula:
C6H10FNO2
Molecular Weight:
147.1475
IUPAC Name:
2-amino-2-(fluoromethyl)pent-4-enoic acid
InChI:
InChI=1S/C6H10FNO2/c1-2-3-6(8,4-7)5(9)10/h2H,1,3-4,8H2,(H,9,10)
InChI Key:
BVCZTVHSMGTGIG-UHFFFAOYSA-N
SMILES:
NC(C(=O)O)(CF)CC=C
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.07g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
147.149g/mol
Monoisotopic Mass:
147.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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