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Home > Nitro Compounds > 89004-22-8
89004-22-8 | 2H-1-Benzopyran, 6,7-dimethoxy-2,2-dimethyl-3-nitro-
CAS No: 89004-22-8 Catalog No: AG00469F MDL No:
Product Description
Catalog Number:
AG00469F
Chemical Name:
2H-1-Benzopyran, 6,7-dimethoxy-2,2-dimethyl-3-nitro-
CAS Number:
89004-22-8
Molecular Formula:
C13H15NO5
Molecular Weight:
265.2619
IUPAC Name:
6,7-dimethoxy-2,2-dimethyl-3-nitrochromene
InChI:
InChI=1S/C13H15NO5/c1-13(2)12(14(15)16)6-8-5-10(17-3)11(18-4)7-9(8)19-13/h5-7H,1-4H3
InChI Key:
WTUPOAOTOZLUJL-UHFFFAOYSA-N
SMILES:
COc1cc2C=C([N+](=O)[O-])C(Oc2cc1OC)(C)C
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.265g/mol
Monoisotopic Mass:
265.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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