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131356-71-3 | 2-Hexynoic acid, 4-hydroxy-4,5-dimethyl-, ethyl ester
CAS No: 131356-71-3 Catalog No: AG000W01 MDL No:
Product Description
Catalog Number:
AG000W01
Chemical Name:
2-Hexynoic acid, 4-hydroxy-4,5-dimethyl-, ethyl ester
CAS Number:
131356-71-3
Molecular Formula:
C10H16O3
Molecular Weight:
184.2322
IUPAC Name:
ethyl 4-hydroxy-4,5-dimethylhex-2-ynoate
InChI:
InChI=1S/C10H16O3/c1-5-13-9(11)6-7-10(4,12)8(2)3/h8,12H,5H2,1-4H3
InChI Key:
HXOQEFGICXWEDZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C#CC(C(C)C)(O)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.235g/mol
Monoisotopic Mass:
184.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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