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127991-64-4 | Benzoic acid, 4-ethenyl-, dodecyl ester
CAS No: 127991-64-4 Catalog No: AG000XNO MDL No:
Product Description
Catalog Number:
AG000XNO
Chemical Name:
Benzoic acid, 4-ethenyl-, dodecyl ester
CAS Number:
127991-64-4
Molecular Formula:
C21H32O2
Molecular Weight:
316.4776
IUPAC Name:
dodecyl 4-ethenylbenzoate
InChI:
InChI=1S/C21H32O2/c1-3-5-6-7-8-9-10-11-12-13-18-23-21(22)20-16-14-19(4-2)15-17-20/h4,14-17H,2-3,5-13,18H2,1H3
InChI Key:
SAWZROBJJFFFHX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)c1ccc(cc1)C=C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.24g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.485g/mol
Monoisotopic Mass:
316.24g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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