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87121-89-9 | Ethyl 3-oxocyclobutanecarboxylate
CAS No: 87121-89-9 Catalog No: AG0034V0 MDL No:MFCD09834114
Product Description
Catalog Number:
AG0034V0
Chemical Name:
Ethyl 3-oxocyclobutanecarboxylate
CAS Number:
87121-89-9
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
MDL Number:
MFCD09834114
IUPAC Name:
ethyl 3-oxocyclobutane-1-carboxylate
InChI:
InChI=1S/C7H10O3/c1-2-10-7(9)5-3-6(8)4-5/h5H,2-4H2,1H3
InChI Key:
BXBRFSMPBOTZHJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CC(=O)C1
Properties
Complexity:
154
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:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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