AG0002O7

10070-92-5 | 5-Pyrimidinecarboxaldehyde

AG0002O7

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CAS Number	10070-92-5
Catalog Number	AG0002O7(AGN-PC-0KKOCX)
Chemical Name	5-Pyrimidinecarboxaldehyde
IUPAC Name	pyrimidine-5-carbaldehyde
InChI	InChI=1S/C5H4N2O/c8-3-5-1-6-4-7-2-5/h1-4H
InChI Key	FREJAOSUHFGDBW-UHFFFAOYSA-N
MDL Number	MFCD03426065
Molecular Formula	C5H4N2O
Molecular Weight	108.0981
SMILES	N1=CN=CC(=C1)C=O
Synonyms	Pyrimidine-5-carbaldehyde, 10070-92-5, Pyrimidine-5-carboxaldehyde, 5-formylpyrimidine, 5-PYRIMIDINECARBOXALDEHYDE, pyrimidine-5-carboxyaldehyde, 5-pyrimidinecarbaldehyde, MFCD03426065, 5-pyrimidinaldehyde, 5-Formyl pyrimidine, PubChem5298, pyrimidine-5-aldehyde, AC1Q6PXT, pyrimidine 5-carboxaldehyde, AC1MC40Z, KSC174K8P, SCHEMBL193843, AMMD00015, CTK0H4587, 5-Pyrimidinecarboxaldehyde, 95%, DTXSID10375493, FREJAOSUHFGDBW-UHFFFAOYSA-N, ZINC154066, ACT08630, BCP26695, ANW-49694, BBL100269, CP-412, SBB065690, STL553835, AKOS005144225, AC-6955, AN-1088, CS-W007340, HP21336, PB32342, PS-9295, QC-4417, RP00452, RTC-020701, TRA0074538, KS-000002Z8, pyrimidine-5-carboxaldehyde, AldrichCPR, AJ-13143, AK-25240, BC200327, BP-10257, BR-25240, CJ-01317, HC210384, SC-00049, SY002007, AB0012601, AB1001289, DB-030315, ST1141096, TC-020701, 4CH-013849, AM20070656, FT-0084555, FT-0603722, FT-0700997, MFCD03426065 (97%), C-1487, 070P925, I03-0133, W-200631, F8881-5907, null, C5H4N2O, ZINC00154066, ACN-026636, CID2761034, 5-pyrimidinecarboxaldehyde (7ci,8ci,9ci), pyrimidine-5-carbaldehyde, 95% - 1G 1g, C2538, A16221,

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	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H332-H335
Packing Group	\N
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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