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1199-60-6 | 4H-Pyran-2-carboxylic acid, 5-methoxy-4-oxo-
CAS No: 1199-60-6 Catalog No: AG000PUS MDL No:MFCD11007758
Product Description
Catalog Number:
AG000PUS
Chemical Name:
4H-Pyran-2-carboxylic acid, 5-methoxy-4-oxo-
CAS Number:
1199-60-6
Molecular Formula:
C7H6O5
Molecular Weight:
170.1195
MDL Number:
MFCD11007758
IUPAC Name:
5-methoxy-4-oxopyran-2-carboxylic acid
InChI:
InChI=1S/C7H6O5/c1-11-6-3-12-5(7(9)10)2-4(6)8/h2-3H,1H3,(H,9,10)
InChI Key:
JQYYVBCIIMRLDL-UHFFFAOYSA-N
SMILES:
COc1coc(cc1=O)C(=O)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.12g/mol
Monoisotopic Mass:
170.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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