AG005910

81502-74-1 | 1,3,5-Benzenetricarboxaldehyde,2-hydroxy-

AG005910

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CAS Number	81502-74-1
Catalog Number	AG005910(AGN-PC-0KL76X)
Chemical Name	1,3,5-Benzenetricarboxaldehyde,2-hydroxy-
IUPAC Name	2-hydroxybenzene-1,3,5-tricarbaldehyde
InChI	InChI=1S/C9H6O4/c10-3-6-1-7(4-11)9(13)8(2-6)5-12/h1-5,13H
InChI Key	HKAZHQGKWVMFHP-UHFFFAOYSA-N
MDL Number	MFCD01314207
Molecular Formula	C9H6O4
Molecular Weight	178.1415
SMILES	O=CC1=CC(C=O)=CC(C=O)=C1O
Synonyms	2-hydroxybenzene-1,3,5-tricarbaldehyde, 81502-74-1, 2-hydroxy-1,3,5-benzenetricarbaldehyde, 1,3,5-Benzenetricarboxaldehyde,2-hydroxy-, AC1MDS5Q, hydroxybenzenetricarbaldehyde, SCHEMBL1488401, CTK5E8826, DTXSID00383486, ZINC153453, ZX-AT027531, 2-hydroxy-1,3,5-benzenetrialdehyde, 2644AC, ANW-74269, CH-892, FCH918723, MFCD01314207, SBB065100, AKOS005071413, QC-9068, RP10791, KS-000021L8, 2-Hydroxy-1,3,5-benzenetricarboxaldehyde, AJ-12987, AN-36266, AX8075492, TR-025621, 1,3,5-Benzenetricarboxaldehyde, 2-hydroxy-, 4CH-024380, CS-0060198, FT-0654586, A19204, 502H741, 9R-0275, I01-6961, J-509665, C9H6O4, ZINC00153453, ACN-043153, CID2794902, H1651,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.027g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.143g/mol
Monoisotopic Mass	178.027g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	71.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Siginal words

Certificate of Analysis

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