Home Carboxys 2,5-bis(propan-2-yl)furan-3-carboxylic acid

2,5-bis(propan-2-yl)furan-3-carboxylic acid

CAS No.:
1542964-03-3
Catalog Number:
AG01BJ8T
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
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Product Description
Catalog Number:
AG01BJ8T
Chemical Name:
2,5-bis(propan-2-yl)furan-3-carboxylic acid
CAS Number:
1542964-03-3
Molecular Formula:
C11H16O3
Molecular Weight:
196.2429
MDL Number:
MFCD30752296
IUPAC Name:
2,5-di(propan-2-yl)furan-3-carboxylic acid
InChI:
InChI=1S/C11H16O3/c1-6(2)9-5-8(11(12)13)10(14-9)7(3)4/h5-7H,1-4H3,(H,12,13)
InChI Key:
MRCUTSKFVSDVES-UHFFFAOYSA-N
SMILES:
CC(c1oc(c(c1)C(=O)O)C(C)C)C
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.246g/mol
Monoisotopic Mass:
196.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties