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116252-11-0 | 4-Decynoic acid, 2-methyl-, ethyl ester
CAS No: 116252-11-0 Catalog No: AG000C26 MDL No:
Product Description
Catalog Number:
AG000C26
Chemical Name:
4-Decynoic acid, 2-methyl-, ethyl ester
CAS Number:
116252-11-0
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
ethyl 2-methyldec-4-ynoate
InChI:
InChI=1S/C13H22O2/c1-4-6-7-8-9-10-11-12(3)13(14)15-5-2/h12H,4-8,11H2,1-3H3
InChI Key:
IDLYCPDTPKROCS-UHFFFAOYSA-N
SMILES:
CCCCCC#CCC(C(=O)OCC)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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