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84642-55-7 | Benzeneacetic acid,1-methyl-2-oxopropyl ester
CAS No: 84642-55-7 Catalog No: AG004TO4 MDL No:
Product Description
Catalog Number:
AG004TO4
Chemical Name:
Benzeneacetic acid,1-methyl-2-oxopropyl ester
CAS Number:
84642-55-7
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
3-oxobutan-2-yl 2-phenylacetate
InChI:
InChI=1S/C12H14O3/c1-9(13)10(2)15-12(14)8-11-6-4-3-5-7-11/h3-7,10H,8H2,1-2H3
InChI Key:
GIIKAFRAYAIAAR-UHFFFAOYSA-N
SMILES:
CC(C(=O)C)OC(=O)Cc1ccccc1
EC Number:
283-431-9
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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