AG0039MU

27427-92-5 | 2-Pyrimidinecarboxaldehyde

AG0039MU

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CAS Number	27427-92-5
Catalog Number	AG0039MU(AGN-PC-0WAEYO)
Chemical Name	2-Pyrimidinecarboxaldehyde
IUPAC Name	pyrimidine-2-carbaldehyde
InChI	InChI=1S/C5H4N2O/c8-4-5-6-2-1-3-7-5/h1-4H
InChI Key	CCOXWRVWKFVFDG-UHFFFAOYSA-N
MDL Number	MFCD07778416
Molecular Formula	C5H4N2O
Molecular Weight	108.0981
SMILES	N1=C(N=CC=C1)C=O
Synonyms	2-Pyrimidinecarboxaldehyde, pyrimidine-2-carbaldehyde, 27427-92-5, Pyrimidine-2-carboxaldehyde, Pyrimidinecarboxaldehyde, 143184-21-8, pyrimidal, pyrimidine aldehyde, 2-Formylpyrimidine, PubChem23190, pyrimidin-2-carbaldehyde, 2-pyrimidine-carboxaldehyde, SCHEMBL347394, ACMC-20a195, SCHEMBL2685428, Jsp005329, AMMD00013, CTK0B5087, CCOXWRVWKFVFDG-UHFFFAOYSA-N, ACT05920, ANW-52551, BBL100226, CP-536, MFCD07778416, SBB052320, STL553798, ZINC15022141, AKOS006238129, AC-7061, AN-9390, PB34235, PS-9296, RP08407, BC228094, EN001900, SC-19850, AB0036192, DB-006215, ST1141093, TC-072533, AM20090343, CS-0048725, FT-0080853, FT-0600379, Y3220, C-8669, 427P925, J-510318, S03-0102, C5H4N2O, 2-ethyl-3H-quinazolin-4-one, 2-Pyrimidinecarboxaldehyde (8CI,9CI), ACN-049578, A5322,

Complexity	78.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	108.032g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	108.1g/mol
Monoisotopic Mass	108.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338-P304+P340-P405-P501
UN Code	\N

Certificate of Analysis

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