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Home > Nitro Compounds > 740842-50-6
740842-50-6 | 2-nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one
CAS No: 740842-50-6 Catalog No: AG00FGHB MDL No:MFCD11869793
Product Description
Catalog Number:
AG00FGHB
Chemical Name:
2-nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one
CAS Number:
740842-50-6
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD11869793
IUPAC Name:
3-nitro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
InChI:
InChI=1S/C11H11NO3/c13-11-5-2-8-1-4-10(12(14)15)7-9(8)3-6-11/h1,4,7H,2-3,5-6H2
InChI Key:
YQPLEYWTKAXWAD-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(CC1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
272
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:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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