200,000+ products from a single source!
sales@angenechem.com
116241-49-7 | Acetic acid, 2-[(3,4-dihydro-3,4-dioxo-1-naphthalenyl)oxy]-, methyl ester
CAS No: 116241-49-7 Catalog No: AG000C0F MDL No:
Product Description
Catalog Number:
AG000C0F
Chemical Name:
Acetic acid, 2-[(3,4-dihydro-3,4-dioxo-1-naphthalenyl)oxy]-, methyl ester
CAS Number:
116241-49-7
Molecular Formula:
C13H10O5
Molecular Weight:
246.2155
IUPAC Name:
methyl 2-(3,4-dioxonaphthalen-1-yl)oxyacetate
InChI:
InChI=1S/C13H10O5/c1-17-12(15)7-18-11-6-10(14)13(16)9-5-3-2-4-8(9)11/h2-6H,7H2,1H3
InChI Key:
FVOCNRHRVCJUKF-UHFFFAOYSA-N
SMILES:
COC(=O)COC1=CC(=O)C(=O)c2c1cccc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.218g/mol
Monoisotopic Mass:
246.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.