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232949-65-4 | Benzenepropanoic acid, pentyl ester
CAS No: 232949-65-4 Catalog No: AG002MSU MDL No:
Product Description
Catalog Number:
AG002MSU
Chemical Name:
Benzenepropanoic acid, pentyl ester
CAS Number:
232949-65-4
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
IUPAC Name:
pentyl 3-phenylpropanoate
InChI:
InChI=1S/C14H20O2/c1-2-3-7-12-16-14(15)11-10-13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChI Key:
ZCOWYOGEJLZCOM-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)CCc1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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