200,000+ products from a single source!
sales@angenechem.com
81258-05-1 | Pyrano[2,3-g]indole-2-carboxylicacid, 1,7,8,9-tetrahydro-5-methoxy-9-oxo-
CAS No: 81258-05-1 Catalog No: AG005461 MDL No:
Product Description
Catalog Number:
AG005461
Chemical Name:
Pyrano[2,3-g]indole-2-carboxylicacid, 1,7,8,9-tetrahydro-5-methoxy-9-oxo-
CAS Number:
81258-05-1
Molecular Formula:
C13H11NO5
Molecular Weight:
261.2301
IUPAC Name:
5-methoxy-9-oxo-7,8-dihydro-1H-pyrano[2,3-g]indole-2-carboxylic acid
InChI:
InChI=1S/C13H11NO5/c1-18-9-5-6-4-7(13(16)17)14-11(6)10-8(15)2-3-19-12(9)10/h4-5,14H,2-3H2,1H3,(H,16,17)
InChI Key:
NDHDDHVSYQFPDN-UHFFFAOYSA-N
SMILES:
COc1cc2cc([nH]c2c2c1OCCC2=O)C(=O)O
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.233g/mol
Monoisotopic Mass:
261.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.