Home Carboxys methyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate

methyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate

CAS No.:
1803604-88-7
Catalog Number:
AG01BCV9
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
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Product Description
Catalog Number:
AG01BCV9
Chemical Name:
methyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CAS Number:
1803604-88-7
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD28023715
IUPAC Name:
methyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
InChI:
InChI=1S/C9H14O3/c1-9(8(10)11-2)5-6-3-4-7(9)12-6/h6-7H,3-5H2,1-2H3
InChI Key:
SBLXMYJPOAWQAR-UHFFFAOYSA-N
SMILES:
CC1(CC2OC1CC2)C(=O)OC
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties