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7507-93-9 | 3-NITRO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE
CAS No: 7507-93-9 Catalog No: AG00G5HJ MDL No:MFCD01851636
Product Description
Catalog Number:
AG00G5HJ
Chemical Name:
3-NITRO-6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-ONE
CAS Number:
7507-93-9
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD01851636
IUPAC Name:
3-nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
InChI:
InChI=1S/C11H11NO3/c13-11-4-2-1-3-8-5-6-9(12(14)15)7-10(8)11/h5-7H,1-4H2
InChI Key:
VDNGDQXLGGSHHT-UHFFFAOYSA-N
SMILES:
O=C1CCCCc2c1cc(cc2)[N+](=O)[O-]
NSC Number:
401448
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:
2.4
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