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Home > Nitro Compounds > 119296-66-1
119296-66-1 | Nitrous acid, (2,4,5-trimethylphenyl)methyl ester
CAS No: 119296-66-1 Catalog No: AG000IJ3 MDL No:
Product Description
Catalog Number:
AG000IJ3
Chemical Name:
Nitrous acid, (2,4,5-trimethylphenyl)methyl ester
CAS Number:
119296-66-1
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
IUPAC Name:
(2,4,5-trimethylphenyl)methyl nitrite
InChI:
InChI=1S/C10H13NO2/c1-7-4-9(3)10(5-8(7)2)6-13-11-12/h4-5H,6H2,1-3H3
InChI Key:
REIOFYGKJIAAEO-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(cc1CON=O)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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