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88086-74-2 | 9H-Xanthene-2-carboxylic acid, 5-chloro-9-oxo-
CAS No: 88086-74-2 Catalog No: AG004H3U MDL No:MFCD00174397
Product Description
Catalog Number:
AG004H3U
Chemical Name:
9H-Xanthene-2-carboxylic acid, 5-chloro-9-oxo-
CAS Number:
88086-74-2
Molecular Formula:
C14H7ClO4
Molecular Weight:
274.6560
MDL Number:
MFCD00174397
IUPAC Name:
5-chloro-9-oxoxanthene-2-carboxylic acid
InChI:
InChI=1S/C14H7ClO4/c15-10-3-1-2-8-12(16)9-6-7(14(17)18)4-5-11(9)19-13(8)10/h1-6H,(H,17,18)
InChI Key:
GBIJPYRPXYHNSM-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)c(=O)c1c(o2)c(Cl)ccc1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.003g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.656g/mol
Monoisotopic Mass:
274.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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