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Home > Nitro Compounds > 1800070-34-1
1800070-34-1 | 2-(methoxymethyl)-1-methyl-3-nitrobenzene
CAS No: 1800070-34-1 Catalog No: AG01EIMF MDL No:
Product Description
Catalog Number:
AG01EIMF
Chemical Name:
2-(methoxymethyl)-1-methyl-3-nitrobenzene
CAS Number:
1800070-34-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
2-(methoxymethyl)-1-methyl-3-nitrobenzene
InChI:
InChI=1S/C9H11NO3/c1-7-4-3-5-9(10(11)12)8(7)6-13-2/h3-5H,6H2,1-2H3
InChI Key:
IZUNBHDJFCIZMU-UHFFFAOYSA-N
SMILES:
COCc1c(C)cccc1[N+](=O)[O-]
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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