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89414-47-1 | Benzenepentanoic acid, 2-propenyl ester
CAS No: 89414-47-1 Catalog No: AG0043ZO MDL No:
Product Description
Catalog Number:
AG0043ZO
Chemical Name:
Benzenepentanoic acid, 2-propenyl ester
CAS Number:
89414-47-1
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
prop-2-enyl 5-phenylpentanoate
InChI:
InChI=1S/C14H18O2/c1-2-12-16-14(15)11-7-6-10-13-8-4-3-5-9-13/h2-5,8-9H,1,6-7,10-12H2
InChI Key:
ZYKQVOWVMCIWNO-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)CCCCc1ccccc1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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