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Home > Indoles and Oxindole > 889942-79-4
889942-79-4 | 4-Methoxy-1H-indole-3-carbonitrile
CAS No: 889942-79-4 Catalog No: AG004408 MDL No:MFCD07776621
Product Description
Catalog Number:
AG004408
Chemical Name:
4-Methoxy-1H-indole-3-carbonitrile
CAS Number:
889942-79-4
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD07776621
IUPAC Name:
4-methoxy-1H-indole-3-carbonitrile
InChI:
InChI=1S/C10H8N2O/c1-13-9-4-2-3-8-10(9)7(5-11)6-12-8/h2-4,6,12H,1H3
InChI Key:
CQQKEAUKMZGVCS-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(C#N)c[nH]2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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