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Home > Nitro Compounds > 3027-38-1
3027-38-1 | 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 5-nitro-
CAS No: 3027-38-1 Catalog No: AG002ZFX MDL No:MFCD00006926
Product Description
Catalog Number:
AG002ZFX
Chemical Name:
1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 5-nitro-
CAS Number:
3027-38-1
Molecular Formula:
C12H5NO5
Molecular Weight:
243.1718
MDL Number:
MFCD00006926
IUPAC Name:
7-nitro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
InChI:
InChI=1S/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H
InChI Key:
FLFLZYYDLIKGJQ-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c3c1cc(cc3ccc2)[N+](=O)[O-]
EC Number:
629-274-5
NSC Number:
32326
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.174g/mol
Monoisotopic Mass:
243.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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