200,000+ products from a single source!
sales@angenechem.com
113734-84-2 | 9H-Xanthen-9-one, 2-chloro-1,8-dihydroxy-5-methoxy-6-methyl-
CAS No: 113734-84-2 Catalog No: AG0009I2 MDL No:
Product Description
Catalog Number:
AG0009I2
Chemical Name:
9H-Xanthen-9-one, 2-chloro-1,8-dihydroxy-5-methoxy-6-methyl-
CAS Number:
113734-84-2
Molecular Formula:
C15H11ClO5
Molecular Weight:
306.6978
IUPAC Name:
2-chloro-1,8-dihydroxy-5-methoxy-6-methylxanthen-9-one
InChI:
InChI=1S/C15H11ClO5/c1-6-5-8(17)10-13(19)11-9(4-3-7(16)12(11)18)21-15(10)14(6)20-2/h3-5,17-18H,1-2H3
InChI Key:
CDKKJMKIQSUIMA-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(c2c1oc1ccc(c(c1c2=O)O)Cl)O
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.03g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.698g/mol
Monoisotopic Mass:
306.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.