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Home > Nitro Compounds > 46318-58-5
46318-58-5 | 1-(4-METHOXYPHENYL)-2-NITROETHAN-1-ONE
CAS No: 46318-58-5 Catalog No: AG00JIPE MDL No:MFCD13187081
Product Description
Catalog Number:
AG00JIPE
Chemical Name:
1-(4-METHOXYPHENYL)-2-NITROETHAN-1-ONE
CAS Number:
46318-58-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD13187081
IUPAC Name:
1-(4-methoxyphenyl)-2-nitroethanone
InChI:
InChI=1S/C9H9NO4/c1-14-8-4-2-7(3-5-8)9(11)6-10(12)13/h2-5H,6H2,1H3
InChI Key:
KOQPBLSLOXRDCQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C[N+](=O)[O-]
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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