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145692-57-5 | 1H-INDOLE-3-CARBONITRILE, 6-METHOXY-
CAS No: 145692-57-5 Catalog No: AG001DAZ MDL No:MFCD07778405
Product Description
Catalog Number:
AG001DAZ
Chemical Name:
1H-INDOLE-3-CARBONITRILE, 6-METHOXY-
CAS Number:
145692-57-5
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD07778405
IUPAC Name:
6-methoxy-1H-indole-3-carbonitrile
InChI:
InChI=1S/C10H8N2O/c1-13-8-2-3-9-7(5-11)6-12-10(9)4-8/h2-4,6,12H,1H3
InChI Key:
SLAJCUNVFURSMK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]cc2C#N
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:
2.3
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