Home Other Building Blocks 2-[(2-methyl-4-oxo-4H-pyran-3-yl)oxy]acetic acid

2-[(2-methyl-4-oxo-4H-pyran-3-yl)oxy]acetic acid

CAS No.:
148115-82-6
Catalog Number:
AG01C73J
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
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Product Description
Catalog Number:
AG01C73J
Chemical Name:
2-[(2-methyl-4-oxo-4H-pyran-3-yl)oxy]acetic acid
CAS Number:
148115-82-6
Molecular Formula:
C8H8O5
Molecular Weight:
184.1461
MDL Number:
MFCD14553363
IUPAC Name:
2-(2-methyl-4-oxopyran-3-yl)oxyacetic acid
InChI:
InChI=1S/C8H8O5/c1-5-8(13-4-7(10)11)6(9)2-3-12-5/h2-3H,4H2,1H3,(H,10,11)
InChI Key:
ISXPTVSFDRDTPI-UHFFFAOYSA-N
SMILES:
Cc1occc(=O)c1OCC(=O)O
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.037g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.147g/mol
Monoisotopic Mass:
184.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties