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Home > Nitro Compounds > 72802-41-6
72802-41-6 | 2-Hydroxy-1-(3-nitrophenyl)ethanone
CAS No: 72802-41-6 Catalog No: AG005P0T MDL No:MFCD04973723
Product Description
Catalog Number:
AG005P0T
Chemical Name:
2-Hydroxy-1-(3-nitrophenyl)ethanone
CAS Number:
72802-41-6
Molecular Formula:
C8H7NO4
Molecular Weight:
181.1455
MDL Number:
MFCD04973723
IUPAC Name:
2-hydroxy-1-(3-nitrophenyl)ethanone
InChI:
InChI=1S/C8H7NO4/c10-5-8(11)6-2-1-3-7(4-6)9(12)13/h1-4,10H,5H2
InChI Key:
DQOFDYBDBHDTPG-UHFFFAOYSA-N
SMILES:
OCC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.147g/mol
Monoisotopic Mass:
181.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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