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Home > Other Heterocycles > 93919-94-9
93919-94-9 | 2-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YLIDENE)ETHYL ISOBUTYRATE
CAS No: 93919-94-9 Catalog No: AG006BGM MDL No:
Product Description
Catalog Number:
AG006BGM
Chemical Name:
2-(3,3-DIMETHYLBICYCLO[2.2.1]HEPT-2-YLIDENE)ETHYL ISOBUTYRATE
CAS Number:
93919-94-9
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
[(2Z)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethyl] 2-methylpropanoate
InChI:
InChI=1S/C15H24O2/c1-10(2)14(16)17-8-7-13-11-5-6-12(9-11)15(13,3)4/h7,10-12H,5-6,8-9H2,1-4H3/b13-7-
InChI Key:
VSMIGSPOHYSZHX-QPEQYQDCSA-N
SMILES:
O=C(C(C)C)OCC=C1C2CCC(C1(C)C)C2
EC Number:
300-079-4
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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