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880499-68-3 | 9-Decen-2-ynoic acid, 4-methyl-4-(4-methyl-3-pentenyl)-, methyl ester
CAS No: 880499-68-3 Catalog No: AG004FP0 MDL No:
Product Description
Catalog Number:
AG004FP0
Chemical Name:
9-Decen-2-ynoic acid, 4-methyl-4-(4-methyl-3-pentenyl)-, methyl ester
CAS Number:
880499-68-3
Molecular Formula:
C18H28O2
Molecular Weight:
276.4137
IUPAC Name:
methyl 4-methyl-4-(4-methylpent-3-enyl)dec-9-en-2-ynoate
InChI:
InChI=1S/C18H28O2/c1-6-7-8-9-13-18(4,14-10-11-16(2)3)15-12-17(19)20-5/h6,11H,1,7-10,13-14H2,2-5H3
InChI Key:
HFJCMNFLWLBKJS-UHFFFAOYSA-N
SMILES:
C=CCCCCC(C#CC(=O)OC)(CCC=C(C)C)C
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.209g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.42g/mol
Monoisotopic Mass:
276.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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