Home Carboxys 3H-benzo[f]chromene-2-carboxylic acid

3H-benzo[f]chromene-2-carboxylic acid

CAS No.:
659745-57-0
Catalog Number:
AG019Q2Q
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
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Product Description
Catalog Number:
AG019Q2Q
Chemical Name:
3H-benzo[f]chromene-2-carboxylic acid
CAS Number:
659745-57-0
Molecular Formula:
C14H10O3
Molecular Weight:
226.2274
MDL Number:
MFCD08445057
IUPAC Name:
3H-benzo[f]chromene-2-carboxylic acid
InChI:
InChI=1S/C14H10O3/c15-14(16)10-7-12-11-4-2-1-3-9(11)5-6-13(12)17-8-10/h1-7H,8H2,(H,15,16)
InChI Key:
ZTKDKYOMXAZNKR-UHFFFAOYSA-N
SMILES:
OC(=O)C1=Cc2c(OC1)ccc1c2cccc1
Properties
Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.063g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.231g/mol
Monoisotopic Mass:
226.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties