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5-(propan-2-yl)-1-benzofuran-3-carboxylic acid

CAS No.:
1504251-86-8
Catalog Number:
AG01B8U9
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
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Product Description
Catalog Number:
AG01B8U9
Chemical Name:
5-(propan-2-yl)-1-benzofuran-3-carboxylic acid
CAS Number:
1504251-86-8
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
MDL Number:
MFCD21281682
IUPAC Name:
5-propan-2-yl-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C12H12O3/c1-7(2)8-3-4-11-9(5-8)10(6-15-11)12(13)14/h3-7H,1-2H3,(H,13,14)
InChI Key:
NCJRTVAMEVMFCN-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)c(co2)C(=O)O)C
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties