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Home > Other Heterocycles > 93904-38-2
93904-38-2 | (6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-EN-2-YL)METHYL CINNAMATE
CAS No: 93904-38-2 Catalog No: AG005YIL MDL No:
Product Description
Catalog Number:
AG005YIL
Chemical Name:
(6,6-DIMETHYLBICYCLO[3.1.1]HEPT-2-EN-2-YL)METHYL CINNAMATE
CAS Number:
93904-38-2
Molecular Formula:
C19H22O2
Molecular Weight:
282.3768
IUPAC Name:
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl (E)-3-phenylprop-2-enoate
InChI:
InChI=1S/C19H22O2/c1-19(2)16-10-9-15(17(19)12-16)13-21-18(20)11-8-14-6-4-3-5-7-14/h3-9,11,16-17H,10,12-13H2,1-2H3/b11-8+
InChI Key:
JQKXXCDIJZYTEZ-DHZHZOJOSA-N
SMILES:
O=C(C=Cc1ccccc1)OCC1=CCC2CC1C2(C)C
EC Number:
299-776-3
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
282.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.383g/mol
Monoisotopic Mass:
282.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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