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Home > Indoles and Oxindole > 51086-02-3
51086-02-3 | 2-(5-METHOXY-1H-INDOL-4-YL)ACETONITRILE
CAS No: 51086-02-3 Catalog No: AG01DQUZ MDL No:MFCD20664958
Product Description
Catalog Number:
AG01DQUZ
Chemical Name:
2-(5-METHOXY-1H-INDOL-4-YL)ACETONITRILE
CAS Number:
51086-02-3
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD20664958
IUPAC Name:
2-(5-methoxy-1H-indol-4-yl)acetonitrile
InChI:
InChI=1S/C11H10N2O/c1-14-11-3-2-10-8(5-7-13-10)9(11)4-6-12/h2-3,5,7,13H,4H2,1H3
InChI Key:
DQCCFJPRRVIQJM-UHFFFAOYSA-N
SMILES:
N#CCc1c(OC)ccc2c1cc[nH]2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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