200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 864130-54-1
864130-54-1 | 6-METHOXY-2- (4-NITRO-PHENYL)-CHROMAN-4-ONE
CAS No: 864130-54-1 Catalog No: AG004XB2 MDL No:
Product Description
Catalog Number:
AG004XB2
Chemical Name:
6-METHOXY-2- (4-NITRO-PHENYL)-CHROMAN-4-ONE
CAS Number:
864130-54-1
Molecular Formula:
C16H13NO5
Molecular Weight:
299.2781
IUPAC Name:
6-methoxy-2-(4-nitrophenyl)-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C16H13NO5/c1-21-12-6-7-15-13(8-12)14(18)9-16(22-15)10-2-4-11(5-3-10)17(19)20/h2-8,16H,9H2,1H3
InChI Key:
WOYPKMICCRAOTN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)CC(O2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.282g/mol
Monoisotopic Mass:
299.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.