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455-72-1 | (3-Fluoro-4-methoxyphenyl)glyoxylic acid
CAS No: 455-72-1 Catalog No: AG01EW1W MDL No:
Product Description
Catalog Number:
AG01EW1W
Chemical Name:
(3-Fluoro-4-methoxyphenyl)glyoxylic acid
CAS Number:
455-72-1
Molecular Formula:
C9H7FO4
Molecular Weight:
198.1479
IUPAC Name:
2-(3-fluoro-4-methoxyphenyl)-2-oxoacetic acid
InChI:
InChI=1S/C9H7FO4/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
QYBRXBQCWCOIBM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(=O)C(=O)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.149g/mol
Monoisotopic Mass:
198.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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