200,000+ products from a single source!
sales@angenechem.com
117333-11-6 | 2-Naphthalenecarboxylic acid, 1,4-dihydro-5,8-dihydroxy-6-methoxy-1,4-dioxo-3-(2-oxopropyl)-
CAS No: 117333-11-6 Catalog No: AG000E4U MDL No:
Product Description
Catalog Number:
AG000E4U
Chemical Name:
2-Naphthalenecarboxylic acid, 1,4-dihydro-5,8-dihydroxy-6-methoxy-1,4-dioxo-3-(2-oxopropyl)-
CAS Number:
117333-11-6
Molecular Formula:
C15H12O8
Molecular Weight:
320.2510
IUPAC Name:
1,4-dihydroxy-6-methoxy-5,8-dioxo-3-(2-oxopropyl)naphthalene-2-carboxylic acid
InChI:
InChI=1S/C15H12O8/c1-5(16)3-6-9(15(21)22)14(20)10-7(17)4-8(23-2)13(19)11(10)12(6)18/h4,18,20H,3H2,1-2H3,(H,21,22)
InChI Key:
JCQVSLPRIQVCHH-UHFFFAOYSA-N
SMILES:
COc1cc(O)c2c(c1O)C(=O)C(=C(C2=O)C(=O)O)CC(=O)C
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.053g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.253g/mol
Monoisotopic Mass:
320.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.