AG00CMT9

3648-78-0 | 4-(4-Methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile

AG00CMT9

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CAS Number	3648-78-0
Catalog Number	AG00CMT9(AGN-PC-0JYTIO)
Chemical Name	4-(4-Methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile
IUPAC Name	4-(4-methoxyphenyl)oxane-4-carbonitrile
InChI	InChI=1S/C13H15NO2/c1-15-12-4-2-11(3-5-12)13(10-14)6-8-16-9-7-13/h2-5H,6-9H2,1H3
InChI Key	AEDAKKUAAMXNOA-UHFFFAOYSA-N
MDL Number	MFCD04061779
Molecular Formula	C13H15NO2
Molecular Weight	217.2637
SMILES	N#CC1(C2=CC=C(OC)C=C2)CCOCC1
Synonyms	4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile, 3648-78-0, 4-(4-methoxyphenyl)oxane-4-carbonitrile, AEDAKKUAAMXNOA-UHFFFAOYSA-N, F2189-1006, AC1LJJEH, TimTec1_007575, SCHEMBL1626522, DTXSID40359605, HMS1555I07, ZINC616519, 4636AB, MFCD04061779, STK774990, 4-(1-Cyano-4-oxa-cyclohexyl)anisole, AKOS000112514, KS-7553, MCULE-5465936912, IDI1_033229, AJ-23728, BAS 07128335, AX8244342, BC4144334, CS-0061968, VU0494918-1, 4-(4-Methoxy-phenyl)-tetrahydro-pyran-4-carbonitrile, 4-(4-methoxyphenyl)-tetrahydro-2H-pyran-4-carbonitrile, Pyran-4-carbonitrile, 4-(4-methoxyphenyl)-tetrahydro-, A3416/0144926, C13H15NO2, CID975133, ZINC00616519,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.11g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.268g/mol
Monoisotopic Mass	217.11g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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