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868707-82-8 | 1,4-Benzodioxin-6-carboxylicacid, 2,3-dihydro-8-methyl-
CAS No: 868707-82-8 Catalog No: AG004ICL MDL No:
Product Description
Catalog Number:
AG004ICL
Chemical Name:
1,4-Benzodioxin-6-carboxylicacid, 2,3-dihydro-8-methyl-
CAS Number:
868707-82-8
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
IUPAC Name:
5-methyl-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
InChI:
InChI=1S/C10H10O4/c1-6-4-7(10(11)12)5-8-9(6)14-3-2-13-8/h4-5H,2-3H2,1H3,(H,11,12)
InChI Key:
MULCPFJSRTWFGO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2OCCOc2c(c1)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.186g/mol
Monoisotopic Mass:
194.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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