200,000+ products from a single source!
sales@angenechem.com
117241-62-0 | 2-Naphthacenecarboxylic acid, 6,11-dihydro-3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-
CAS No: 117241-62-0 Catalog No: AG000DZP MDL No:
Product Description
Catalog Number:
AG000DZP
Chemical Name:
2-Naphthacenecarboxylic acid, 6,11-dihydro-3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxo-
CAS Number:
117241-62-0
Molecular Formula:
C21H14O8
Molecular Weight:
394.3311
IUPAC Name:
3,10,12-trihydroxy-8-methoxy-1-methyl-6,11-dioxotetracene-2-carboxylic acid
InChI:
InChI=1S/C21H14O8/c1-7-14-8(4-12(22)15(7)21(27)28)3-10-17(19(14)25)20(26)16-11(18(10)24)5-9(29-2)6-13(16)23/h3-6,22-23,25H,1-2H3,(H,27,28)
InChI Key:
NSKLWYCTXNPUBB-UHFFFAOYSA-N
SMILES:
COc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)c2c(c1)cc(c(c2C)C(=O)O)O
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.069g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
394.335g/mol
Monoisotopic Mass:
394.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.