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122490-10-2 | Propanoic acid, 2-(aminomethyl)-3,3,3-trifluoro-
CAS No: 122490-10-2 Catalog No: AG0017BF MDL No:
Product Description
Catalog Number:
AG0017BF
Chemical Name:
Propanoic acid, 2-(aminomethyl)-3,3,3-trifluoro-
CAS Number:
122490-10-2
Molecular Formula:
C4H6F3NO2
Molecular Weight:
157.0911
IUPAC Name:
2-(aminomethyl)-3,3,3-trifluoropropanoic acid
InChI:
InChI=1S/C4H6F3NO2/c5-4(6,7)2(1-8)3(9)10/h2H,1,8H2,(H,9,10)
InChI Key:
JTVNVXKFDGVLJA-UHFFFAOYSA-N
SMILES:
NCC(C(F)(F)F)C(=O)O
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.035g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
157.092g/mol
Monoisotopic Mass:
157.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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