AG001V31

164738-44-7 | 4-Pyrimidinecarboxaldehyde, 2-methoxy-

AG001V31

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CAS Number	164738-44-7
Catalog Number	AG001V31(AGN-PC-0N2NHA)
Chemical Name	4-Pyrimidinecarboxaldehyde, 2-methoxy-
IUPAC Name	2-methoxypyrimidine-4-carbaldehyde
InChI	InChI=1S/C6H6N2O2/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3
InChI Key	TWESBRAYQPCROD-UHFFFAOYSA-N
MDL Number	MFCD08275992
Molecular Formula	C6H6N2O2
Molecular Weight	138.1240
SMILES	COC1=NC=CC(=N1)C=O
Synonyms	2-methoxypyrimidine-4-carbaldehyde, 164738-44-7, 4-Pyrimidinecarboxaldehyde, 2-methoxy-, SCHEMBL4976296, CTK0E5858, KS-00000HQI, DTXSID60438108, TWESBRAYQPCROD-UHFFFAOYSA-N, BCP10050, ANW-54080, MFCD08275992, ZINC38522618, AKOS006229528, AB44816, CS-W006622, RP20431, AJ-95380, AK-31659, BR-31659, CJ-19255, DS-11448, AB0022673, DB-024492, ST2410102, TR-007090, 4CH-008583, FT-0716360, W3588, S-6725, J-509885, C6H6N2O2, ACN-027089, CID10329356, 4-Pyrimidinecarboxaldehyde, 2-methoxy- (9CI),

Complexity	118
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.043g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	138.126g/mol
Monoisotopic Mass	138.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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