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73347-78-1 | Bicyclo[2.2.1]heptan-2-ol,6-ethylidene-, 2-propanoate
CAS No: 73347-78-1 Catalog No: AG005EMY MDL No:
Product Description
Catalog Number:
AG005EMY
Chemical Name:
Bicyclo[2.2.1]heptan-2-ol,6-ethylidene-, 2-propanoate
CAS Number:
73347-78-1
Molecular Formula:
C12H18O2
Molecular Weight:
194.2701
IUPAC Name:
(6-ethylidene-2-bicyclo[2.2.1]heptanyl) propanoate
InChI:
InChI=1S/C12H18O2/c1-3-9-5-8-6-10(9)11(7-8)14-12(13)4-2/h3,8,10-11H,4-7H2,1-2H3
InChI Key:
OIUKIGBGOYCJMK-UHFFFAOYSA-N
SMILES:
CCC(=O)OC1CC2CC1C(=CC)C2
EC Number:
277-393-2
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.131g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.274g/mol
Monoisotopic Mass:
194.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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