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128613-49-0 | 2-Propanone, 1,3-dihydroxy-, O-(phenylmethyl)oxime
CAS No: 128613-49-0 Catalog No: AG000Y86 MDL No:
Product Description
Catalog Number:
AG000Y86
Chemical Name:
2-Propanone, 1,3-dihydroxy-, O-(phenylmethyl)oxime
CAS Number:
128613-49-0
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
2-phenylmethoxyiminopropane-1,3-diol
InChI:
InChI=1S/C10H13NO3/c12-6-10(7-13)11-14-8-9-4-2-1-3-5-9/h1-5,12-13H,6-8H2
InChI Key:
UQZZTSKULBSSQK-UHFFFAOYSA-N
SMILES:
OCC(=NOCc1ccccc1)CO
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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