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Home > Other Heterocycles > 74841-38-6
74841-38-6 | Bicyclo[2.2.1]heptan-2-one,3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethyl-
CAS No: 74841-38-6 Catalog No: AG005SHP MDL No:
Product Description
Catalog Number:
AG005SHP
Chemical Name:
Bicyclo[2.2.1]heptan-2-one,3-(1,3-benzodioxol-5-ylmethylene)-1,7,7-trimethyl-
CAS Number:
74841-38-6
Molecular Formula:
C18H20O3
Molecular Weight:
284.3496
IUPAC Name:
(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C18H20O3/c1-17(2)13-6-7-18(17,3)16(19)12(13)8-11-4-5-14-15(9-11)21-10-20-14/h4-5,8-9,13H,6-7,10H2,1-3H3/b12-8+
InChI Key:
OMKMCEVABFYVSE-XYOKQWHBSA-N
SMILES:
O=C1C(=Cc2ccc3c(c2)OCO3)C2C(C1(C)CC2)(C)C
EC Number:
278-007-5
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
284.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.355g/mol
Monoisotopic Mass:
284.141g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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