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130895-69-1 | 2-Propanone, 1,3-dimethoxy-1-phenyl-
CAS No: 130895-69-1 Catalog No: AG000V2S MDL No:
Product Description
Catalog Number:
AG000V2S
Chemical Name:
2-Propanone, 1,3-dimethoxy-1-phenyl-
CAS Number:
130895-69-1
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
1,3-dimethoxy-1-phenylpropan-2-one
InChI:
InChI=1S/C11H14O3/c1-13-8-10(12)11(14-2)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
InChI Key:
KKGZCVAWXZEVFK-UHFFFAOYSA-N
SMILES:
COC(c1ccccc1)C(=O)COC
Properties
Complexity:
173
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:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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