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Home > Nitro Compounds > 444588-03-8
444588-03-8 | 7-nitro-3,4-dihydro-1H-isochromene
CAS No: 444588-03-8 Catalog No: AG00I8FH MDL No:MFCD03232433
Product Description
Catalog Number:
AG00I8FH
Chemical Name:
7-nitro-3,4-dihydro-1H-isochromene
CAS Number:
444588-03-8
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD03232433
IUPAC Name:
7-nitro-3,4-dihydro-1H-isochromene
InChI:
InChI=1S/C9H9NO3/c11-10(12)9-2-1-7-3-4-13-6-8(7)5-9/h1-2,5H,3-4,6H2
InChI Key:
YGESIJUSNLKASY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)COCC2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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