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287179-85-5 | Cyclohexanemethanol, 4-(2-propyn-1-yl)-, 1-acetate, trans-
CAS No: 287179-85-5 Catalog No: AG002W8D MDL No:
Product Description
Catalog Number:
AG002W8D
Chemical Name:
Cyclohexanemethanol, 4-(2-propyn-1-yl)-, 1-acetate, trans-
CAS Number:
287179-85-5
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
acetic acid;(4-prop-2-ynylcyclohexyl)methanol
InChI:
InChI=1S/C10H16O.C2H4O2/c1-2-3-9-4-6-10(8-11)7-5-9;1-2(3)4/h1,9-11H,3-8H2;1H3,(H,3,4)
InChI Key:
CQMNSVQSINUWLN-UHFFFAOYSA-N
SMILES:
C#CC[C@@H]1CC[C@H](CC1)COC(=O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.141g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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