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10242-09-8 | 2-Benzofurancarboxylic acid, 5-methyl-
CAS No: 10242-09-8 Catalog No: AG0007FH MDL No:MFCD03167985
Product Description
Catalog Number:
AG0007FH
Chemical Name:
2-Benzofurancarboxylic acid, 5-methyl-
CAS Number:
10242-09-8
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD03167985
IUPAC Name:
5-methyl-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C10H8O3/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12)
InChI Key:
RNTYTQILDXWFLQ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc(o2)C(=O)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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