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102170-50-3 | 4H-Pyran-2-carboxylic acid, 3-methoxy-4-oxo-
CAS No: 102170-50-3 Catalog No: AG0006S9 MDL No:MFCD20653299
Product Description
Catalog Number:
AG0006S9
Chemical Name:
4H-Pyran-2-carboxylic acid, 3-methoxy-4-oxo-
CAS Number:
102170-50-3
Molecular Formula:
C7H6O5
Molecular Weight:
170.1195
MDL Number:
MFCD20653299
IUPAC Name:
3-methoxy-4-oxopyran-2-carboxylic acid
InChI:
InChI=1S/C7H6O5/c1-11-5-4(8)2-3-12-6(5)7(9)10/h2-3H,1H3,(H,9,10)
InChI Key:
SPODPCIJFSPESI-UHFFFAOYSA-N
SMILES:
COc1c(=O)ccoc1C(=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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