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Home > Nitro Compounds > 89763-54-2
89763-54-2 | Benzene, 2-methyl-4-(1-methylethoxy)-1-(2-nitro-1-propenyl)-
CAS No: 89763-54-2 Catalog No: AG0040PM MDL No:
Product Description
Catalog Number:
AG0040PM
Chemical Name:
Benzene, 2-methyl-4-(1-methylethoxy)-1-(2-nitro-1-propenyl)-
CAS Number:
89763-54-2
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
2-methyl-1-(2-nitroprop-1-enyl)-4-propan-2-yloxybenzene
InChI:
InChI=1S/C13H17NO3/c1-9(2)17-13-6-5-12(10(3)7-13)8-11(4)14(15)16/h5-9H,1-4H3
InChI Key:
NKGWLDXIFSBGKQ-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(c(c1)C)C=C([N+](=O)[O-])C)C
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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