Home Other Building Blocks Benzeneacetic acid, phenylmethyl ester

Benzeneacetic acid, phenylmethyl ester

CAS No.:
102-16-9
Catalog Number:
AG000680
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
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Product Description
Catalog Number:
AG000680
Chemical Name:
Benzeneacetic acid, phenylmethyl ester
CAS Number:
102-16-9
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
MDL Number:
MFCD00022045
IUPAC Name:
benzyl 2-phenylacetate
InChI:
InChI=1S/C15H14O2/c16-15(11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:
MIYFJEKZLFWKLZ-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1)OCc1ccccc1
EC Number:
203-008-4
UNII:
A7LDA0CIWF
FEMA Number:
2149
Properties
Complexity:
225  
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:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties