Home Carboxys 7-propoxy-2H-chromene-3-carboxylic acid

7-propoxy-2H-chromene-3-carboxylic acid

CAS No.:
923200-37-7
Catalog Number:
AG019UIK
Molecular Formula:
C13H14O4
Molecular Weight:
234.2479
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Product Description
Catalog Number:
AG019UIK
Chemical Name:
7-propoxy-2H-chromene-3-carboxylic acid
CAS Number:
923200-37-7
Molecular Formula:
C13H14O4
Molecular Weight:
234.2479
MDL Number:
MFCD22392160
IUPAC Name:
7-propoxy-2H-chromene-3-carboxylic acid
InChI:
InChI=1S/C13H14O4/c1-2-5-16-11-4-3-9-6-10(13(14)15)8-17-12(9)7-11/h3-4,6-7H,2,5,8H2,1H3,(H,14,15)
InChI Key:
OJFOAOYCGCZPRE-UHFFFAOYSA-N
SMILES:
CCCOc1ccc2c(c1)OCC(=C2)C(=O)O
Properties
Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.089g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.251g/mol
Monoisotopic Mass:
234.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties