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89154-46-1 | 7-Octen-5-yn-3-ol, 2,2,3,7-tetramethyl-
CAS No: 89154-46-1 Catalog No: AG003XA3 MDL No:
Product Description
Catalog Number:
AG003XA3
Chemical Name:
7-Octen-5-yn-3-ol, 2,2,3,7-tetramethyl-
CAS Number:
89154-46-1
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
2,2,3,7-tetramethyloct-7-en-5-yn-3-ol
InChI:
InChI=1S/C12H20O/c1-10(2)8-7-9-12(6,13)11(3,4)5/h13H,1,9H2,2-6H3
InChI Key:
GCJSDMIIJHANCK-UHFFFAOYSA-N
SMILES:
CC(=C)C#CCC(C(C)(C)C)(O)C
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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