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Home > Nitro Compounds > 14628-90-1
14628-90-1 | 2,4,6-Cycloheptatrien-1-one, 2-methoxy-5-nitro-
CAS No: 14628-90-1 Catalog No: AG001DV5 MDL No:MFCD00127912
Product Description
Catalog Number:
AG001DV5
Chemical Name:
2,4,6-Cycloheptatrien-1-one, 2-methoxy-5-nitro-
CAS Number:
14628-90-1
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD00127912
IUPAC Name:
2-methoxy-5-nitrocyclohepta-2,4,6-trien-1-one
InChI:
InChI=1S/C8H7NO4/c1-13-8-5-3-6(9(11)12)2-4-7(8)10/h2-5H,1H3
InChI Key:
SRVBIVSFLVFSAB-UHFFFAOYSA-N
SMILES:
COc1ccc(ccc1=O)[N+](=O)[O-]
EC Number:
238-670-3
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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