Home Carboxys 5-butyl-2-methylfuran-3-carboxylic acid

5-butyl-2-methylfuran-3-carboxylic acid

CAS No.:
2020085-46-3
Catalog Number:
AG01DW58
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
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Product Description
Catalog Number:
AG01DW58
Chemical Name:
5-butyl-2-methylfuran-3-carboxylic acid
CAS Number:
2020085-46-3
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
MDL Number:
MFCD31616121
IUPAC Name:
5-butyl-2-methylfuran-3-carboxylic acid
InChI:
InChI=1S/C10H14O3/c1-3-4-5-8-6-9(10(11)12)7(2)13-8/h6H,3-5H2,1-2H3,(H,11,12)
InChI Key:
MCDVMAXFGUOHLG-UHFFFAOYSA-N
SMILES:
CCCCc1oc(c(c1)C(=O)O)C
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties