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Home > Nitro Compounds > 90564-14-0
90564-14-0 | 1-(2-METHOXY-4-NITROPHENYL)ETHAN-1-ONE
CAS No: 90564-14-0 Catalog No: AG00390B MDL No:MFCD11847486
Product Description
Catalog Number:
AG00390B
Chemical Name:
1-(2-METHOXY-4-NITROPHENYL)ETHAN-1-ONE
CAS Number:
90564-14-0
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD11847486
IUPAC Name:
1-(2-methoxy-4-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO4/c1-6(11)8-4-3-7(10(12)13)5-9(8)14-2/h3-5H,1-2H3
InChI Key:
KIBOJZSASSWCHN-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C(=O)C)[N+](=O)[O-]
Properties
Complexity:
236
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:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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