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77940-99-9 | ETHYL 6,6-DIMETHYL-2-OXO-NORPINANE-3-CARBOXYLATE
CAS No: 77940-99-9 Catalog No: AG0056I2 MDL No:
Product Description
Catalog Number:
AG0056I2
Chemical Name:
ETHYL 6,6-DIMETHYL-2-OXO-NORPINANE-3-CARBOXYLATE
CAS Number:
77940-99-9
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
IUPAC Name:
ethyl 6,6-dimethyl-2-oxobicyclo[3.1.1]heptane-3-carboxylate
InChI:
InChI=1S/C12H18O3/c1-4-15-11(14)8-5-7-6-9(10(8)13)12(7,2)3/h7-9H,4-6H2,1-3H3
InChI Key:
AIFUJOZBCJJFNU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC2CC(C1=O)C2(C)C
NSC Number:
251001
Properties
Complexity:
306
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:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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