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20325-03-5 | Cyclohexanol, 4-(1,1-dimethylethyl)-1-ethynyl-
CAS No: 20325-03-5 Catalog No: AG0028RB MDL No:
Product Description
Catalog Number:
AG0028RB
Chemical Name:
Cyclohexanol, 4-(1,1-dimethylethyl)-1-ethynyl-
CAS Number:
20325-03-5
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
4-tert-butyl-1-ethynylcyclohexan-1-ol
InChI:
InChI=1S/C12H20O/c1-5-12(13)8-6-10(7-9-12)11(2,3)4/h1,10,13H,6-9H2,2-4H3
InChI Key:
BPCZRRZEJCLZEW-UHFFFAOYSA-N
SMILES:
C#CC1(O)CCC(CC1)C(C)(C)C
Properties
Complexity:
217
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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