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89469-93-2 | 1,2,3-Propanetricarboxylic acid, 1-fluoro-
CAS No: 89469-93-2 Catalog No: AG0043QT MDL No:
Product Description
Catalog Number:
AG0043QT
Chemical Name:
1,2,3-Propanetricarboxylic acid, 1-fluoro-
CAS Number:
89469-93-2
Molecular Formula:
C6H7FO6
Molecular Weight:
194.1146
IUPAC Name:
1-fluoropropane-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C6H7FO6/c7-4(6(12)13)2(5(10)11)1-3(8)9/h2,4H,1H2,(H,8,9)(H,10,11)(H,12,13)
InChI Key:
ZGZMIYSDQCGBLF-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(C(=O)O)F)C(=O)O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.023g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
194.114g/mol
Monoisotopic Mass:
194.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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