AG00CK47

362703-30-8 | Methyl 4-cyanotetrahydro-2H-pyran-4-carboxylate

AG00CK47

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CAS Number	362703-30-8
Catalog Number	AG00CK47(AGN-PC-0WAZLK)
Chemical Name	Methyl 4-cyanotetrahydro-2H-pyran-4-carboxylate
IUPAC Name	methyl 4-cyanooxane-4-carboxylate
InChI	InChI=1S/C8H11NO3/c1-11-7(10)8(6-9)2-4-12-5-3-8/h2-5H2,1H3
InChI Key	ZOCVBMSJKWEGQO-UHFFFAOYSA-N
MDL Number	MFCD11100237
Molecular Formula	C8H11NO3
Molecular Weight	169.1778
SMILES	O=C(C1(C#N)CCOCC1)OC
Synonyms	methyl 4-cyanotetrahydro-2H-pyran-4-carboxylate, 362703-30-8, methyl 4-cyanooxane-4-carboxylate, SCHEMBL1192865, CTK6I7949, DTXSID80587389, ZOCVBMSJKWEGQO-UHFFFAOYSA-N, methylcyanotetrahydropyrancarboxylate, KS-000025FN, MFCD11100237, SBB088273, ZINC22995853, AKOS005072631, GC-0734, MCULE-9795186838, NE14900, RP10462, AJ-81559, methyl 4-cyanotetrahydropyran-4-carboxylate, TR-064887, CS-0008710, J-522340, methyl 4-cyano-2H-3,4,5,6-tetrahydropyran-4-carboxylate, 2H-Pyran-4-carboxylic acid, 4-cyanotetrahydro-, methyl ester,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	169.18g/mol
Monoisotopic Mass	169.074g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number