AG00CLSO

38373-47-6 | 5-Pyrimidinecarbonitrile, 2-methoxy- (9CI)

AG00CLSO

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CAS Number	38373-47-6
Catalog Number	AG00CLSO(AGN-PC-02UQN4)
Chemical Name	5-Pyrimidinecarbonitrile, 2-methoxy- (9CI)
IUPAC Name	2-methoxypyrimidine-5-carbonitrile
InChI	InChI=1S/C6H5N3O/c1-10-6-8-3-5(2-7)4-9-6/h3-4H,1H3
InChI Key	OZEMKEGUQJZPIV-UHFFFAOYSA-N
MDL Number	MFCD11840202
Molecular Formula	C6H5N3O
Molecular Weight	135.1234
SMILES	N#CC1=CN=C(OC)N=C1
Synonyms	2-Methoxypyrimidine-5-carbonitrile, 38373-47-6, 5-Pyrimidinecarbonitrile, 2-methoxy- (9CI), ACMC-1AIU8, SCHEMBL610198, CTK8B1588, KS-00003HLC, DTXSID90608251, OZEMKEGUQJZPIV-UHFFFAOYSA-N, ANW-28889, MFCD11840202, ZINC35322991, AKOS016013417, BS-3773, RP20182, AJ-91273, CJ-18736, TC-117634, CS-0045738, V5634, 2-methoxypyrimidine-5-carbonitrile, AldrichCPR, B-9009, J-509886, C6H5N3O,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	135.043g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	135.126g/mol
Monoisotopic Mass	135.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	58.8A^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-H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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