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88400-09-3 | 7-Octen-5-yn-4-one, 1-hydroxy-8-methoxy-3-methyl-
CAS No: 88400-09-3 Catalog No: AG004L8K MDL No:
Product Description
Catalog Number:
AG004L8K
Chemical Name:
7-Octen-5-yn-4-one, 1-hydroxy-8-methoxy-3-methyl-
CAS Number:
88400-09-3
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
IUPAC Name:
1-hydroxy-8-methoxy-3-methyloct-7-en-5-yn-4-one
InChI:
InChI=1S/C10H14O3/c1-9(6-7-11)10(12)5-3-4-8-13-2/h4,8-9,11H,6-7H2,1-2H3
InChI Key:
QCNSDPFLDUHYRK-UHFFFAOYSA-N
SMILES:
CC(C(=O)C#CC=COC)CCO
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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