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Home > Nitro Compounds > 16336-26-8
16336-26-8 | 2H-1-Benzopyran, 6-nitro-
CAS No: 16336-26-8 Catalog No: AG001U2M MDL No:
Product Description
Catalog Number:
AG001U2M
Chemical Name:
2H-1-Benzopyran, 6-nitro-
CAS Number:
16336-26-8
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
IUPAC Name:
6-nitro-2H-chromene
InChI:
InChI=1S/C9H7NO3/c11-10(12)8-3-4-9-7(6-8)2-1-5-13-9/h1-4,6H,5H2
InChI Key:
WTOXZRRTHAQEGL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)C=CCO2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.159g/mol
Monoisotopic Mass:
177.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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