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1378703-34-4 | 2-Benzofurancarboxylic acid, 2,3-dihydro-5,7-dimethyl-
CAS No: 1378703-34-4 Catalog No: AG001406 MDL No:
Product Description
Catalog Number:
AG001406
Chemical Name:
2-Benzofurancarboxylic acid, 2,3-dihydro-5,7-dimethyl-
CAS Number:
1378703-34-4
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
IUPAC Name:
5,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C11H12O3/c1-6-3-7(2)10-8(4-6)5-9(14-10)11(12)13/h3-4,9H,5H2,1-2H3,(H,12,13)
InChI Key:
LXMOARSYOIBPSS-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(O1)c(C)cc(c2)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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