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102-20-5 | Benzeneacetic acid, 2-phenylethyl ester
CAS No: 102-20-5 Catalog No: AG00067X MDL No:MFCD00022049
Product Description
Catalog Number:
AG00067X
Chemical Name:
Benzeneacetic acid, 2-phenylethyl ester
CAS Number:
102-20-5
Molecular Formula:
C16H16O2
Molecular Weight:
240.2970
MDL Number:
MFCD00022049
IUPAC Name:
2-phenylethyl 2-phenylacetate
InChI:
InChI=1S/C16H16O2/c17-16(13-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChI Key:
ZOZIRNMDEZKZHM-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1)OCCc1ccccc1
UNII:
5J5OJ7GH15
NSC Number:
6676
FEMA Number:
2866
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.302g/mol
Monoisotopic Mass:
240.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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