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Home > Nitro Compounds > 58349-77-2
58349-77-2 | 9-(2-nitrovinyl)anthracene
CAS No: 58349-77-2 Catalog No: AG00F1OI MDL No:MFCD00003577
Product Description
Catalog Number:
AG00F1OI
Chemical Name:
9-(2-nitrovinyl)anthracene
CAS Number:
58349-77-2
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
MDL Number:
MFCD00003577
IUPAC Name:
9-[(E)-2-nitroethenyl]anthracene
InChI:
InChI=1S/C16H11NO2/c18-17(19)10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-11H/b10-9+
InChI Key:
GYOMWYPUMGJROJ-MDZDMXLPSA-N
SMILES:
[O-][N+](=O)/C=C/c1c2ccccc2cc2c1cccc2
EC Number:
261-220-2
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
249.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.269g/mol
Monoisotopic Mass:
249.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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