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Home > Nitro Compounds > 17354-63-1
17354-63-1 | Benzene, 1-methoxy-4-(2-nitro-1-propen-1-yl)-
CAS No: 17354-63-1 Catalog No: AG001Z0B MDL No:
Product Description
Catalog Number:
AG001Z0B
Chemical Name:
Benzene, 1-methoxy-4-(2-nitro-1-propen-1-yl)-
CAS Number:
17354-63-1
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
1-methoxy-4-(2-nitroprop-1-enyl)benzene
InChI:
InChI=1S/C10H11NO3/c1-8(11(12)13)7-9-3-5-10(14-2)6-4-9/h3-7H,1-2H3
InChI Key:
XQGFRDLMKKKSAH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C([N+](=O)[O-])C
EC Number:
241-381-5
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Identification of synthetic precursors of amphetamine-like drugs using Raman spectroscopy and ab initio calculations: beta-Methyl-beta-nitrostyrene derivatives. | The Analyst 20041101 |
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