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1514-85-8 | Propanedioic acid, 2,2-difluoro-
CAS No: 1514-85-8 Catalog No: AG001NBP MDL No:MFCD11110404
Product Description
Catalog Number:
AG001NBP
Chemical Name:
Propanedioic acid, 2,2-difluoro-
CAS Number:
1514-85-8
Molecular Formula:
C3H2F2O4
Molecular Weight:
140.0424
MDL Number:
MFCD11110404
IUPAC Name:
2,2-difluoropropanedioic acid
InChI:
InChI=1S/C3H2F2O4/c4-3(5,1(6)7)2(8)9/h(H,6,7)(H,8,9)
InChI Key:
LIHVFFFGWFBSAT-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(=O)O)(F)F
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.992g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.042g/mol
Monoisotopic Mass:
139.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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