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Home > Nitro Compounds > 64169-76-2
64169-76-2 | 2H-1-Benzopyran, 2,2-dimethyl-7-nitro-
CAS No: 64169-76-2 Catalog No: AG00H8SJ MDL No:
Product Description
Catalog Number:
AG00H8SJ
Chemical Name:
2H-1-Benzopyran, 2,2-dimethyl-7-nitro-
CAS Number:
64169-76-2
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
2,2-dimethyl-7-nitrochromene
InChI:
InChI=1S/C11H11NO3/c1-11(2)6-5-8-3-4-9(12(13)14)7-10(8)15-11/h3-7H,1-2H3
InChI Key:
ACUOAQKUXNEDQR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)OC(C=C2)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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