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88067-58-7 | 2-Hexynoic acid, 4-(2-ethoxyethoxy)-, methyl ester
CAS No: 88067-58-7 Catalog No: AG004KR6 MDL No:
Product Description
Catalog Number:
AG004KR6
Chemical Name:
2-Hexynoic acid, 4-(2-ethoxyethoxy)-, methyl ester
CAS Number:
88067-58-7
Molecular Formula:
C11H18O4
Molecular Weight:
214.2582
IUPAC Name:
methyl 4-(2-ethoxyethoxy)hex-2-ynoate
InChI:
InChI=1S/C11H18O4/c1-4-10(6-7-11(12)13-3)15-9-8-14-5-2/h10H,4-5,8-9H2,1-3H3
InChI Key:
QZDRLLNDRQTFBZ-UHFFFAOYSA-N
SMILES:
CCOCCOC(C#CC(=O)OC)CC
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.261g/mol
Monoisotopic Mass:
214.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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