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Home > Nitro Compounds > 85702-58-5
85702-58-5 | 3'-HYDROXY-2-NITROSOPROPIOPHENONE
CAS No: 85702-58-5 Catalog No: AG004PPD MDL No:
Product Description
Catalog Number:
AG004PPD
Chemical Name:
3'-HYDROXY-2-NITROSOPROPIOPHENONE
CAS Number:
85702-58-5
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
IUPAC Name:
1-(3-hydroxyphenyl)-2-nitrosopropan-1-one
InChI:
InChI=1S/C9H9NO3/c1-6(10-13)9(12)7-3-2-4-8(11)5-7/h2-6,11H,1H3
InChI Key:
YTBNCXWCVZVTSZ-UHFFFAOYSA-N
SMILES:
O=NC(C(=O)c1cccc(c1)O)C
EC Number:
288-249-3
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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