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127724-13-4 | 2-Benzofurancarboxylic acid, 4-hydroxy-, methyl ester
CAS No: 127724-13-4 Catalog No: AG000XD3 MDL No:
Product Description
Catalog Number:
AG000XD3
Chemical Name:
2-Benzofurancarboxylic acid, 4-hydroxy-, methyl ester
CAS Number:
127724-13-4
Molecular Formula:
C10H8O4
Molecular Weight:
192.1681
IUPAC Name:
methyl 4-hydroxy-1-benzofuran-2-carboxylate
InChI:
InChI=1S/C10H8O4/c1-13-10(12)9-5-6-7(11)3-2-4-8(6)14-9/h2-5,11H,1H3
InChI Key:
ALEVHDFRQGVTOE-UHFFFAOYSA-N
SMILES:
COC(=O)c1oc2c(c1)c(O)ccc2
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.17g/mol
Monoisotopic Mass:
192.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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