AG006W7A

2436-17-1 | 2-(5-methoxy-1H-indol-3-yl)acetonitrile

AG006W7A

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CAS Number	2436-17-1
Catalog Number	AG006W7A(AGN-PC-0KWJX7)
Chemical Name	2-(5-methoxy-1H-indol-3-yl)acetonitrile
IUPAC Name	2-(5-methoxy-1H-indol-3-yl)acetonitrile
InChI	InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3
InChI Key	ZBQCXEREMRGOCO-UHFFFAOYSA-N
MDL Number	MFCD02094163
Molecular Formula	C11H10N2O
Molecular Weight	186.2099
SMILES	N#CCC1=CNC2=C1C=C(OC)C=C2
Synonyms	5-Methoxyindole-3-acetonitrile, 2436-17-1, 2-(5-methoxy-1H-indol-3-yl)acetonitrile, (5-methoxy-1H-indol-3-yl)acetonitrile, 5-Methoxy-3-indolylacetonitrile, 2-(5-methoxyindol-3-yl)ethanenitrile, 1H-Indole-3-acetonitrile, 5-methoxy-, PubChem10435, AC1MSTH3, ACMC-1CO6P, AC1Q4F1S, SCHEMBL2724551, CHEMBL2377609, CTK4F3480, DTXSID00393707, ZBQCXEREMRGOCO-UHFFFAOYSA-N, ACT03564, BCP26955, KS-000018CT, ZINC2389515, (5-methoxy-3-indolyl)-acetonitrile, 5-Methoxy-1H-indole-3-acetonitrile, ANW-25413, CM-607, MFCD02094163, SBB069457, STL220633, 1H-Indole-3-acetonitrile,5-methoxy-, 3-(Cyanomethyl)-5-methoxy-1H-indole, AKOS005258779, 5-Methoxy-3-indolylacetonitrile, 95%, MCULE-3095608504, VI30446, (5-methoxy-1H-indol-3-yl)-acetonitrile, AC-27790, AN-50902, AS-11095, CJ-08349, SC-02817, AB0008672, TC-060654, A5023, FT-0650677, ST45244462, M-2483, S14-0807, Z1983100816, C11H10N2O, CID3564783, M-3480,

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	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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