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2902-64-9 | 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester
CAS No: 2902-64-9 Catalog No: AG002V86 MDL No:
Product Description
Catalog Number:
AG002V86
Chemical Name:
5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, methyl ester
CAS Number:
2902-64-9
Molecular Formula:
C10H6O5
Molecular Weight:
206.1516
IUPAC Name:
methyl 1,3-dioxo-2-benzofuran-5-carboxylate
InChI:
InChI=1S/C10H6O5/c1-14-8(11)5-2-3-6-7(4-5)10(13)15-9(6)12/h2-4H,1H3
InChI Key:
JWKWYRVXHBOBRF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)C(=O)OC2=O
EC Number:
220-796-5
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.153g/mol
Monoisotopic Mass:
206.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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