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84541-92-4 | Benzeneacetic acid, 4-(2-oxopropyl)-, methyl ester
CAS No: 84541-92-4 Catalog No: AG0053WB MDL No:
Product Description
Catalog Number:
AG0053WB
Chemical Name:
Benzeneacetic acid, 4-(2-oxopropyl)-, methyl ester
CAS Number:
84541-92-4
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
IUPAC Name:
methyl 2-[4-(2-oxopropyl)phenyl]acetate
InChI:
InChI=1S/C12H14O3/c1-9(13)7-10-3-5-11(6-4-10)8-12(14)15-2/h3-6H,7-8H2,1-2H3
InChI Key:
NHDJXQMPAGRCRZ-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1ccc(cc1)CC(=O)C
Properties
Complexity:
227
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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