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1408075-88-6 | Cyclobutanecarboxylic acid, 1-methyl-3-oxo-, methyl ester
CAS No: 1408075-88-6 Catalog No: AG001CTN MDL No:MFCD23105986
Product Description
Catalog Number:
AG001CTN
Chemical Name:
Cyclobutanecarboxylic acid, 1-methyl-3-oxo-, methyl ester
CAS Number:
1408075-88-6
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD23105986
IUPAC Name:
methyl 1-methyl-3-oxocyclobutane-1-carboxylate
InChI:
InChI=1S/C7H10O3/c1-7(6(9)10-2)3-5(8)4-7/h3-4H2,1-2H3
InChI Key:
AFJSYXYJQWHNMP-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C)CC(=O)C1
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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