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1312760-31-8 | 9H-Xanthene-1-carboxylic acid, 7-methyl-9-oxo-
CAS No: 1312760-31-8 Catalog No: AG000VU6 MDL No:MFCD18533694
Product Description
Catalog Number:
AG000VU6
Chemical Name:
9H-Xanthene-1-carboxylic acid, 7-methyl-9-oxo-
CAS Number:
1312760-31-8
Molecular Formula:
C15H10O4
Molecular Weight:
254.2375
MDL Number:
MFCD18533694
IUPAC Name:
7-methyl-9-oxoxanthene-1-carboxylic acid
InChI:
InChI=1S/C15H10O4/c1-8-5-6-11-10(7-8)14(16)13-9(15(17)18)3-2-4-12(13)19-11/h2-7H,1H3,(H,17,18)
InChI Key:
QSYVSMNQPSWGRR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(=O)c1c(o2)cccc1C(=O)O
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.241g/mol
Monoisotopic Mass:
254.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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