Home Carboxys 8-ethoxy-2H-chromene-3-carboxylic acid

8-ethoxy-2H-chromene-3-carboxylic acid

CAS No.:
923121-28-2
Catalog Number:
AG019UCO
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
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Product Description
Catalog Number:
AG019UCO
Chemical Name:
8-ethoxy-2H-chromene-3-carboxylic acid
CAS Number:
923121-28-2
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD08444994
IUPAC Name:
8-ethoxy-2H-chromene-3-carboxylic acid
InChI:
InChI=1S/C12H12O4/c1-2-15-10-5-3-4-8-6-9(12(13)14)7-16-11(8)10/h3-6H,2,7H2,1H3,(H,13,14)
InChI Key:
PYVWLZQNVFPMGA-UHFFFAOYSA-N
SMILES:
CCOc1cccc2c1OCC(=C2)C(=O)O
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.224g/mol
Monoisotopic Mass:
220.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties