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Home > Other Heterocycles > 228117-37-1
228117-37-1 | 2-CARBOMETHOXYBICYCLO[3.2.1]OCTAN-3-ONE
CAS No: 228117-37-1 Catalog No: AG01DX64 MDL No:MFCD25961300
Product Description
Catalog Number:
AG01DX64
Chemical Name:
2-CARBOMETHOXYBICYCLO[3.2.1]OCTAN-3-ONE
CAS Number:
228117-37-1
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
MDL Number:
MFCD25961300
IUPAC Name:
methyl 3-oxobicyclo[3.2.1]octane-2-carboxylate
InChI:
InChI=1S/C10H14O3/c1-13-10(12)9-7-3-2-6(4-7)5-8(9)11/h6-7,9H,2-5H2,1H3
InChI Key:
DMKROFLXNAWPQW-UHFFFAOYSA-N
SMILES:
COC(=O)C1C2CCC(C2)CC1=O
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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