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139527-35-8 | Acetic acid, 2-[(4-methyl-2-pentyn-1-yl)oxy]-
CAS No: 139527-35-8 Catalog No: AG001B6H MDL No:
Product Description
Catalog Number:
AG001B6H
Chemical Name:
Acetic acid, 2-[(4-methyl-2-pentyn-1-yl)oxy]-
CAS Number:
139527-35-8
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
2-(4-methylpent-2-ynoxy)acetic acid
InChI:
InChI=1S/C8H12O3/c1-7(2)4-3-5-11-6-8(9)10/h7H,5-6H2,1-2H3,(H,9,10)
InChI Key:
WDXMMKJXCVEADQ-UHFFFAOYSA-N
SMILES:
CC(C#CCOCC(=O)O)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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