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100586-00-3 | Oxiranebutanoic acid, 3-(1-tetradecynyl)-, methyl ester, trans- (9CI)
CAS No: 100586-00-3 Catalog No: AG0002EP MDL No:
Product Description
Catalog Number:
AG0002EP
Chemical Name:
Oxiranebutanoic acid, 3-(1-tetradecynyl)-, methyl ester, trans- (9CI)
CAS Number:
100586-00-3
Molecular Formula:
C21H36O3
Molecular Weight:
336.5087
IUPAC Name:
methyl 4-(3-tetradec-1-ynyloxiran-2-yl)butanoate
InChI:
InChI=1S/C21H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h19-20H,3-13,15,17-18H2,1-2H3
InChI Key:
GFJBVECADOXVQF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC#C[C@@H]1O[C@H]1CCCC(=O)OC
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.266g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.516g/mol
Monoisotopic Mass:
336.266g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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