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77100-93-7 | Benzenebutanoic acid, phenylmethyl ester
CAS No: 77100-93-7 Catalog No: AG005EF4 MDL No:
Product Description
Catalog Number:
AG005EF4
Chemical Name:
Benzenebutanoic acid, phenylmethyl ester
CAS Number:
77100-93-7
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
IUPAC Name:
benzyl 4-phenylbutanoate
InChI:
InChI=1S/C17H18O2/c18-17(19-14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2
InChI Key:
CNUZXGDIRMXKJV-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)CCCc1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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