Home Other Building Blocks 3-(4-acetyl-5-methylfuran-2-yl)propanoic acid

3-(4-acetyl-5-methylfuran-2-yl)propanoic acid

CAS No.:
858247-32-2
Catalog Number:
AG019OS2
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
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Product Description
Catalog Number:
AG019OS2
Chemical Name:
3-(4-acetyl-5-methylfuran-2-yl)propanoic acid
CAS Number:
858247-32-2
Molecular Formula:
C10H12O4
Molecular Weight:
196.1999
MDL Number:
MFCD07355838
IUPAC Name:
3-(4-acetyl-5-methylfuran-2-yl)propanoic acid
InChI:
InChI=1S/C10H12O4/c1-6(11)9-5-8(14-7(9)2)3-4-10(12)13/h5H,3-4H2,1-2H3,(H,12,13)
InChI Key:
NYHREHZIVDLXDZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1cc(c(o1)C)C(=O)C
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.202g/mol
Monoisotopic Mass:
196.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties