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17734-38-2 | Benzenepentanoic acid, ethyl ester
CAS No: 17734-38-2 Catalog No: AG00259D MDL No:
Product Description
Catalog Number:
AG00259D
Chemical Name:
Benzenepentanoic acid, ethyl ester
CAS Number:
17734-38-2
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
ethyl 5-phenylpentanoate
InChI:
InChI=1S/C13H18O2/c1-2-15-13(14)11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3
InChI Key:
QCHDRUGIAZBPGB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCc1ccccc1
NSC Number:
33936
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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