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156733-09-4 | 1-Cyclopropene-1-propanoic acid, 2-octadecyl-, methyl ester
CAS No: 156733-09-4 Catalog No: AG001OXQ MDL No:
Product Description
Catalog Number:
AG001OXQ
Chemical Name:
1-Cyclopropene-1-propanoic acid, 2-octadecyl-, methyl ester
CAS Number:
156733-09-4
Molecular Formula:
C25H46O2
Molecular Weight:
378.6315
IUPAC Name:
methyl 3-(2-octadecylcyclopropen-1-yl)propanoate
InChI:
InChI=1S/C25H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22-24(23)20-21-25(26)27-2/h3-22H2,1-2H3
InChI Key:
BOQAVOFHBWZJBV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCC1=C(C1)CCC(=O)OC
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.35g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.641g/mol
Monoisotopic Mass:
378.35g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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