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144534-42-9 | 2,8-Decadiynoic acid, methyl ester
CAS No: 144534-42-9 Catalog No: AG001JQ9 MDL No:
Product Description
Catalog Number:
AG001JQ9
Chemical Name:
2,8-Decadiynoic acid, methyl ester
CAS Number:
144534-42-9
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
IUPAC Name:
methyl deca-2,8-diynoate
InChI:
InChI=1S/C11H14O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h5-8H2,1-2H3
InChI Key:
OYZDGVAMJFTOMC-UHFFFAOYSA-N
SMILES:
CC#CCCCCC#CC(=O)OC
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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