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15121-81-0 | 1-Propanone, 3-hydroxy-2-(hydroxymethyl)-2-methyl-1-phenyl-
CAS No: 15121-81-0 Catalog No: AG001N60 MDL No:
Product Description
Catalog Number:
AG001N60
Chemical Name:
1-Propanone, 3-hydroxy-2-(hydroxymethyl)-2-methyl-1-phenyl-
CAS Number:
15121-81-0
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
3-hydroxy-2-(hydroxymethyl)-2-methyl-1-phenylpropan-1-one
InChI:
InChI=1S/C11H14O3/c1-11(7-12,8-13)10(14)9-5-3-2-4-6-9/h2-6,12-13H,7-8H2,1H3
InChI Key:
XCRYELYGNRRKHN-UHFFFAOYSA-N
SMILES:
OCC(C(=O)c1ccccc1)(CO)C
NSC Number:
71137
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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