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76429-73-7 | 2,3-Dihydrobenzofuran-5-carboxylic acid
CAS No: 76429-73-7 Catalog No: AG003FJ3 MDL No:MFCD00085012
Product Description
Catalog Number:
AG003FJ3
Chemical Name:
2,3-Dihydrobenzofuran-5-carboxylic acid
CAS Number:
76429-73-7
Molecular Formula:
C9H8O3
Molecular Weight:
164.1580
MDL Number:
MFCD00085012
IUPAC Name:
2,3-dihydro-1-benzofuran-5-carboxylic acid
InChI:
InChI=1S/C9H8O3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-2,5H,3-4H2,(H,10,11)
InChI Key:
YXYOLVAXVPOIMA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)CCO2
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.16g/mol
Monoisotopic Mass:
164.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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