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89525-80-4 | 3-Hydroxy-7-methoxybenzofuran-2-carbonitrile
CAS No: 89525-80-4 Catalog No: AG003Z1A MDL No:
Product Description
Catalog Number:
AG003Z1A
Chemical Name:
3-Hydroxy-7-methoxybenzofuran-2-carbonitrile
CAS Number:
89525-80-4
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
IUPAC Name:
3-hydroxy-7-methoxy-1-benzofuran-2-carbonitrile
InChI:
InChI=1S/C10H7NO3/c1-13-7-4-2-3-6-9(12)8(5-11)14-10(6)7/h2-4,12H,1H3
InChI Key:
CXFPYPZFDFSLSB-UHFFFAOYSA-N
SMILES:
COc1cccc2c1oc(c2O)C#N
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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