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101-94-0 | Benzeneacetic acid, 4-methylphenyl ester
CAS No: 101-94-0 Catalog No: AG0003GQ MDL No:MFCD00025983
Product Description
Catalog Number:
AG0003GQ
Chemical Name:
Benzeneacetic acid, 4-methylphenyl ester
CAS Number:
101-94-0
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
MDL Number:
MFCD00025983
IUPAC Name:
(4-methylphenyl) 2-phenylacetate
InChI:
InChI=1S/C15H14O2/c1-12-7-9-14(10-8-12)17-15(16)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
OJEQSSJFSNLMLB-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1)Oc1ccc(cc1)C
EC Number:
202-990-1
UNII:
959IBY0PDG
NSC Number:
5981
FEMA Number:
3077
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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