Home Carboxys 4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid

4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid

CAS No.:
1369138-08-8
Catalog Number:
AG01BU79
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
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Product Description
Catalog Number:
AG01BU79
Chemical Name:
4,5,6,7-tetrahydrobenzofuran-2-carboxylic acid
CAS Number:
1369138-08-8
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD22032683
IUPAC Name:
4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C9H10O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2,(H,10,11)
InChI Key:
IUGDSTMXFRDRLY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(o1)CCCC2
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties