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102119-87-9 | 1-Cyclopropene-1-undecanoic acid, 2-pentyl-, methyl ester
CAS No: 102119-87-9 Catalog No: AG0006NL MDL No:
Product Description
Catalog Number:
AG0006NL
Chemical Name:
1-Cyclopropene-1-undecanoic acid, 2-pentyl-, methyl ester
CAS Number:
102119-87-9
Molecular Formula:
C20H36O2
Molecular Weight:
308.4986
IUPAC Name:
methyl 11-(2-pentylcyclopropen-1-yl)undecanoate
InChI:
InChI=1S/C20H36O2/c1-3-4-11-14-18-17-19(18)15-12-9-7-5-6-8-10-13-16-20(21)22-2/h3-17H2,1-2H3
InChI Key:
CWISCYLRBQRGJM-UHFFFAOYSA-N
SMILES:
CCCCCC1=C(C1)CCCCCCCCCCC(=O)OC
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.272g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.506g/mol
Monoisotopic Mass:
308.272g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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