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70007-83-9 | 2H-Pyran-6-acetic acid,4-methyl-2-oxo-, ethyl ester
CAS No: 70007-83-9 Catalog No: AG005GKQ MDL No:
Product Description
Catalog Number:
AG005GKQ
Chemical Name:
2H-Pyran-6-acetic acid,4-methyl-2-oxo-, ethyl ester
CAS Number:
70007-83-9
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
IUPAC Name:
ethyl 2-(4-methyl-6-oxopyran-2-yl)acetate
InChI:
InChI=1S/C10H12O4/c1-3-13-9(11)6-8-4-7(2)5-10(12)14-8/h4-5H,3,6H2,1-2H3
InChI Key:
HOAPSQMFSMCEOX-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cc(C)cc(=O)o1
EC Number:
274-250-6
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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