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Home > Nitro Compounds > 6277-38-9
6277-38-9 | 4-METHOXY-3-NITROACETOPHENONE
CAS No: 6277-38-9 Catalog No: AG003LMS MDL No:MFCD00017023
Product Description
Catalog Number:
AG003LMS
Chemical Name:
4-METHOXY-3-NITROACETOPHENONE
CAS Number:
6277-38-9
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00017023
IUPAC Name:
1-(4-methoxy-3-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO4/c1-6(11)7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3
InChI Key:
VXLKYQQBEPCMJE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])C(=O)C
EC Number:
228-476-7
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:
1.4
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