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41302-34-5 | Methyl 2-oxocyclohexanecarboxylate
CAS No: 41302-34-5 Catalog No: AG003HJX MDL No:MFCD00077699
Product Description
Catalog Number:
AG003HJX
Chemical Name:
Methyl 2-oxocyclohexanecarboxylate
CAS Number:
41302-34-5
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD00077699
IUPAC Name:
methyl 2-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h6H,2-5H2,1H3
InChI Key:
JEENWEAPRWGXSG-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCCC1=O
EC Number:
255-306-9
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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