200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 81289-17-0
81289-17-0 | 2H-1-Benzopyran, 2-(3,4-dimethoxyphenyl)-3-nitro-
CAS No: 81289-17-0 Catalog No: AG0053D4 MDL No:
Product Description
Catalog Number:
AG0053D4
Chemical Name:
2H-1-Benzopyran, 2-(3,4-dimethoxyphenyl)-3-nitro-
CAS Number:
81289-17-0
Molecular Formula:
C17H15NO5
Molecular Weight:
313.3047
IUPAC Name:
2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene
InChI:
InChI=1S/C17H15NO5/c1-21-15-8-7-12(10-16(15)22-2)17-13(18(19)20)9-11-5-3-4-6-14(11)23-17/h3-10,17H,1-2H3
InChI Key:
PCCRDMCQSCHCTK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C1Oc2ccccc2C=C1[N+](=O)[O-]
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.309g/mol
Monoisotopic Mass:
313.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.