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Home > Nitro Compounds > 94299-09-9
94299-09-9 | 1-[3-(4-methylphenoxy)prop-1-en-1-yl]-3-nitrobenzene
CAS No: 94299-09-9 Catalog No: AG00H8O1 MDL No:
Product Description
Catalog Number:
AG00H8O1
Chemical Name:
1-[3-(4-methylphenoxy)prop-1-en-1-yl]-3-nitrobenzene
CAS Number:
94299-09-9
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
IUPAC Name:
1-[3-(4-methylphenoxy)prop-1-enyl]-3-nitrobenzene
InChI:
InChI=1S/C16H15NO3/c1-13-7-9-16(10-8-13)20-11-3-5-14-4-2-6-15(12-14)17(18)19/h2-10,12H,11H2,1H3
InChI Key:
DCQCTTCPGXXVOK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)OCC=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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