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16205-90-6 | 2-Hexynoic acid, ethyl ester
CAS No: 16205-90-6 Catalog No: AG001SP0 MDL No:MFCD00015257
Product Description
Catalog Number:
AG001SP0
Chemical Name:
2-Hexynoic acid, ethyl ester
CAS Number:
16205-90-6
Molecular Formula:
C8H12O2
Molecular Weight:
140.1797
MDL Number:
MFCD00015257
IUPAC Name:
ethyl hex-2-ynoate
InChI:
InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3-5H2,1-2H3
InChI Key:
ZFMNCZDBAHELNX-UHFFFAOYSA-N
SMILES:
CCCC#CC(=O)OCC
EC Number:
240-335-1
NSC Number:
190966
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.084g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.182g/mol
Monoisotopic Mass:
140.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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