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121739-61-5 | Benzenepentanoic acid, 4-ethenyl-
CAS No: 121739-61-5 Catalog No: AG0015NF MDL No:
Product Description
Catalog Number:
AG0015NF
Chemical Name:
Benzenepentanoic acid, 4-ethenyl-
CAS Number:
121739-61-5
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
5-(4-ethenylphenyl)pentanoic acid
InChI:
InChI=1S/C13H16O2/c1-2-11-7-9-12(10-8-11)5-3-4-6-13(14)15/h2,7-10H,1,3-6H2,(H,14,15)
InChI Key:
KHUYUPYDGZTBIT-UHFFFAOYSA-N
SMILES:
C=Cc1ccc(cc1)CCCCC(=O)O
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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