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20620-59-1 | Benzenepentanoic acid, methyl ester
CAS No: 20620-59-1 Catalog No: AG002AKX MDL No:MFCD00025896
Product Description
Catalog Number:
AG002AKX
Chemical Name:
Benzenepentanoic acid, methyl ester
CAS Number:
20620-59-1
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD00025896
IUPAC Name:
methyl 5-phenylpentanoate
InChI:
InChI=1S/C12H16O2/c1-14-12(13)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChI Key:
BNNWLDUOVGYRLY-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCc1ccccc1
NSC Number:
96991
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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