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158205-36-8 | 4H-Pyran-3-carboxylic acid, 6-methyl-4-oxo-
CAS No: 158205-36-8 Catalog No: AG001Q20 MDL No:MFCD18820212
Product Description
Catalog Number:
AG001Q20
Chemical Name:
4H-Pyran-3-carboxylic acid, 6-methyl-4-oxo-
CAS Number:
158205-36-8
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
MDL Number:
MFCD18820212
IUPAC Name:
6-methyl-4-oxopyran-3-carboxylic acid
InChI:
InChI=1S/C7H6O4/c1-4-2-6(8)5(3-11-4)7(9)10/h2-3H,1H3,(H,9,10)
InChI Key:
JAGJLAZOEUICNT-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)c(co1)C(=O)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.121g/mol
Monoisotopic Mass:
154.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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