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Home > Nitro Compounds > 85276-69-3
85276-69-3 | 1-(3-Methoxy-5-nitrophenyl)ethanone
CAS No: 85276-69-3 Catalog No: AG00IDM6 MDL No:MFCD22376112
Product Description
Catalog Number:
AG00IDM6
Chemical Name:
1-(3-Methoxy-5-nitrophenyl)ethanone
CAS Number:
85276-69-3
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD22376112
IUPAC Name:
1-(3-methoxy-5-nitrophenyl)ethanone
InChI:
InChI=1S/C9H9NO4/c1-6(11)7-3-8(10(12)13)5-9(4-7)14-2/h3-5H,1-2H3
InChI Key:
HDCGVNAVLOWLHP-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(=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:
1.4
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