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16005-15-5 | 2-Butenoic acid, dodecyl ester
CAS No: 16005-15-5 Catalog No: AG001RNF MDL No:
Product Description
Catalog Number:
AG001RNF
Chemical Name:
2-Butenoic acid, dodecyl ester
CAS Number:
16005-15-5
Molecular Formula:
C16H30O2
Molecular Weight:
254.4082
IUPAC Name:
dodecyl but-2-enoate
InChI:
InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h4,14H,3,5-13,15H2,1-2H3
InChI Key:
PJJDTHSONOWIIH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)C=CC
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.225g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.414g/mol
Monoisotopic Mass:
254.225g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.4
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