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881-03-8 | 2-Methyl-1-nitronaphthalene
CAS No: 881-03-8 Catalog No: AG003HLC MDL No:MFCD00003914
Product Description
Catalog Number:
AG003HLC
Chemical Name:
2-Methyl-1-nitronaphthalene
CAS Number:
881-03-8
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD00003914
IUPAC Name:
2-methyl-1-nitronaphthalene
InChI:
InChI=1S/C11H9NO2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-7H,1H3
InChI Key:
IZNWACYOILBFEG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)ccc2c1cccc2
EC Number:
212-917-5
UNII:
0IG2R1R9F7
NSC Number:
7516
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.063g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.198g/mol
Monoisotopic Mass:
187.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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