Home Other Building Blocks 2-METHYL-4,5-DIHYDROFURAN-3-CARBOXYLICACID

2-METHYL-4,5-DIHYDROFURAN-3-CARBOXYLICACID

CAS No.:
100191-39-7
Catalog Number:
AG01DKLP
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
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Product Description
Catalog Number:
AG01DKLP
Chemical Name:
2-METHYL-4,5-DIHYDROFURAN-3-CARBOXYLICACID
CAS Number:
100191-39-7
Molecular Formula:
C6H8O3
Molecular Weight:
128.1259
MDL Number:
MFCD08456935
IUPAC Name:
5-methyl-2,3-dihydrofuran-4-carboxylic acid
InChI:
InChI=1S/C6H8O3/c1-4-5(6(7)8)2-3-9-4/h2-3H2,1H3,(H,7,8)
InChI Key:
FFOIBOBGLQIZSB-UHFFFAOYSA-N
SMILES:
CC1=C(CCO1)C(=O)O
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.047g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.127g/mol
Monoisotopic Mass:
128.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties