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88942-69-2 | 1,1,3-Propanetricarboxylic acid, 1-fluoro-2-phenyl-, trimethyl ester
CAS No: 88942-69-2 Catalog No: AG0047YN MDL No:
Product Description
Catalog Number:
AG0047YN
Chemical Name:
1,1,3-Propanetricarboxylic acid, 1-fluoro-2-phenyl-, trimethyl ester
CAS Number:
88942-69-2
Molecular Formula:
C15H17FO6
Molecular Weight:
312.2903
IUPAC Name:
trimethyl 1-fluoro-2-phenylpropane-1,1,3-tricarboxylate
InChI:
InChI=1S/C15H17FO6/c1-20-12(17)9-11(10-7-5-4-6-8-10)15(16,13(18)21-2)14(19)22-3/h4-8,11H,9H2,1-3H3
InChI Key:
ADGRAMOFPLFBFB-UHFFFAOYSA-N
SMILES:
COC(=O)CC(C(C(=O)OC)(C(=O)OC)F)c1ccccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.293g/mol
Monoisotopic Mass:
312.101g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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