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Home > Nitro Compounds > 105752-68-9
105752-68-9 | Naphthalene, 1,4,5-trimethyl-8-(nitromethyl)-
CAS No: 105752-68-9 Catalog No: AG007FGU MDL No:
Product Description
Catalog Number:
AG007FGU
Chemical Name:
Naphthalene, 1,4,5-trimethyl-8-(nitromethyl)-
CAS Number:
105752-68-9
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
IUPAC Name:
1,4,5-trimethyl-8-(nitromethyl)naphthalene
InChI:
InChI=1S/C14H15NO2/c1-9-4-5-11(3)14-12(8-15(16)17)7-6-10(2)13(9)14/h4-7H,8H2,1-3H3
InChI Key:
BGLXAEIAAXPALH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)Cc1ccc(c2c1c(C)ccc2C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.279g/mol
Monoisotopic Mass:
229.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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