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Home > Other Heterocycles > 90547-87-8
90547-87-8 | Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl-
CAS No: 90547-87-8 Catalog No: AG006P07 MDL No:
Product Description
Catalog Number:
AG006P07
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 4-(acetyloxy)-1,7,7-trimethyl-
CAS Number:
90547-87-8
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
(4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl) acetate
InChI:
InChI=1S/C12H18O3/c1-8(13)15-12-6-5-11(4,9(14)7-12)10(12,2)3/h5-7H2,1-4H3
InChI Key:
URGGFAVLEJJAOX-UHFFFAOYSA-N
SMILES:
CC(=O)OC12CCC(C2(C)C)(C(=O)C1)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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