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114153-75-2 | 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, 2-methylpropyl ester
CAS No: 114153-75-2 Catalog No: AG000AO3 MDL No:
Product Description
Catalog Number:
AG000AO3
Chemical Name:
2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, 2-methylpropyl ester
CAS Number:
114153-75-2
Molecular Formula:
C12H16O4
Molecular Weight:
224.2530
IUPAC Name:
2-methylpropyl 2,4-dimethyl-6-oxopyran-3-carboxylate
InChI:
InChI=1S/C12H16O4/c1-7(2)6-15-12(14)11-8(3)5-10(13)16-9(11)4/h5,7H,6H2,1-4H3
InChI Key:
MOTZOMTZUQTKOF-UHFFFAOYSA-N
SMILES:
CC(COC(=O)c1c(C)cc(=O)oc1C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.105g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.256g/mol
Monoisotopic Mass:
224.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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