200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116310-60-2
116310-60-2 | 2H-1-Benzopyran-2-one, 4-(1,3-benzodioxol-5-yl)-5-hydroxy-7-methoxy-
CAS No: 116310-60-2 Catalog No: AG000C69 MDL No:
Product Description
Catalog Number:
AG000C69
Chemical Name:
2H-1-Benzopyran-2-one, 4-(1,3-benzodioxol-5-yl)-5-hydroxy-7-methoxy-
CAS Number:
116310-60-2
Molecular Formula:
C17H12O6
Molecular Weight:
312.2736
IUPAC Name:
4-(1,3-benzodioxol-5-yl)-5-hydroxy-7-methoxychromen-2-one
InChI:
InChI=1S/C17H12O6/c1-20-10-5-12(18)17-11(7-16(19)23-15(17)6-10)9-2-3-13-14(4-9)22-8-21-13/h2-7,18H,8H2,1H3
InChI Key:
GQAQYSDRXZGBLW-UHFFFAOYSA-N
SMILES:
COc1cc(O)c2c(c1)oc(=O)cc2c1ccc2c(c1)OCO2
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.063g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.277g/mol
Monoisotopic Mass:
312.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.