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30338-48-8 | 4-Heptyn-3-ol, 2,2,6,6-tetramethyl-
CAS No: 30338-48-8 Catalog No: AG002ZSB MDL No:
Product Description
Catalog Number:
AG002ZSB
Chemical Name:
4-Heptyn-3-ol, 2,2,6,6-tetramethyl-
CAS Number:
30338-48-8
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
IUPAC Name:
2,2,6,6-tetramethylhept-4-yn-3-ol
InChI:
InChI=1S/C11H20O/c1-10(2,3)8-7-9(12)11(4,5)6/h9,12H,1-6H3
InChI Key:
TVXZJSZTLFMIMA-UHFFFAOYSA-N
SMILES:
OC(C(C)(C)C)C#CC(C)(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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