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150693-10-0 | 9H-Xanthen-9-one, 4-chloro-1,3-dihydroxy-2-methyl-
CAS No: 150693-10-0 Catalog No: AG001MSY MDL No:
Product Description
Catalog Number:
AG001MSY
Chemical Name:
9H-Xanthen-9-one, 4-chloro-1,3-dihydroxy-2-methyl-
CAS Number:
150693-10-0
Molecular Formula:
C14H9ClO4
Molecular Weight:
276.6719
IUPAC Name:
4-chloro-1,3-dihydroxy-2-methylxanthen-9-one
InChI:
InChI=1S/C14H9ClO4/c1-6-11(16)9-13(18)7-4-2-3-5-8(7)19-14(9)10(15)12(6)17/h2-5,16-17H,1H3
InChI Key:
AWNIUBDOEINZQP-UHFFFAOYSA-N
SMILES:
Oc1c(Cl)c2oc3ccccc3c(=O)c2c(c1C)O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.019g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.672g/mol
Monoisotopic Mass:
276.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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