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Home > Nitro Compounds > 5330-66-5
5330-66-5 | 1-(2-NITROPHENOXY)ACETONE
CAS No: 5330-66-5 Catalog No: AG00DASL MDL No:MFCD00024219
Product Description
Catalog Number:
AG00DASL
Chemical Name:
1-(2-NITROPHENOXY)ACETONE
CAS Number:
5330-66-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00024219
IUPAC Name:
1-(2-nitrophenoxy)propan-2-one
InChI:
InChI=1S/C9H9NO4/c1-7(11)6-14-9-5-3-2-4-8(9)10(12)13/h2-5H,6H2,1H3
InChI Key:
PYVMIAYOZLGBQM-UHFFFAOYSA-N
SMILES:
CC(=O)COc1ccccc1[N+](=O)[O-]
NSC Number:
2506
Properties
Complexity:
223
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:
1.1
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