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1646-27-1 | 2-Benzofurancarboxylic acid, methyl ester
CAS No: 1646-27-1 Catalog No: AG001UZC MDL No:MFCD01159618
Product Description
Catalog Number:
AG001UZC
Chemical Name:
2-Benzofurancarboxylic acid, methyl ester
CAS Number:
1646-27-1
Molecular Formula:
C10H8O3
Molecular Weight:
176.1687
MDL Number:
MFCD01159618
IUPAC Name:
methyl 1-benzofuran-2-carboxylate
InChI:
InChI=1S/C10H8O3/c1-12-10(11)9-6-7-4-2-3-5-8(7)13-9/h2-6H,1H3
InChI Key:
GIJIKNIHYNIDSJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(o1)cccc2
NSC Number:
156073
Properties
Complexity:
202
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:
0
Isotope Atom Count:
0
Molecular Weight:
176.171g/mol
Monoisotopic Mass:
176.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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