AG003294

487-70-7 | 2,4,6-Trihydroxybenzaldehyde

AG003294

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CAS Number	487-70-7
Catalog Number	AG003294(AGN-PC-00SYM7)
Chemical Name	2,4,6-Trihydroxybenzaldehyde
EC Number	207-663-7
IUPAC Name	2,4,6-trihydroxybenzaldehyde
InChI	InChI=1S/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11H
InChI Key	BTQAJGSMXCDDAJ-UHFFFAOYSA-N
MDL Number	MFCD00003329
Molecular Formula	C7H6O4
Molecular Weight	154.1201
NSC Number	38610
SMILES	OC1=C(C=O)C(=CC(=C1)O)O
UNII	I70C45KRO9
Synonyms	2,4,6-trihydroxybenzaldehyde, phloroglucinol aldehyde, 2,4,6-Trihydroxybenzaldehyde, 487-70-7, Phloroglucinaldehyde, Formylphloroglucinal, Benzaldehyde, 2,4,6-trihydroxy-, Formylphloroglucinol, MFCD00003329, NSC 38610, BRN 2254429, Phloroglucinol aldehyde, EINECS 207-663-7, UNII-I70C45KRO9, I70C45KRO9, BTQAJGSMXCDDAJ-UHFFFAOYSA-N, AK-81651, 2,4,6-trihydroxybenzaldehyd, NSC38610, PubChem21790, AC1Q6Q1A, AC1Q78MS, ACMC-1AO01, Benzaldehyde,4,6-trihydroxy-, SCHEMBL307321, 2,4,6-trihydroxy-benzaldehyde, AC1L290Y, ARK075, CHEMBL2403487, KS-00000LKI, DTXSID90197594, 2,4,6-tris(oxidanyl)benzaldehyde, ZINC1670802, ANW-30694, NSC-38610, AKOS015899852, CS-W005130, FCH1118038, GS-3678, MCULE-6389850503, 2,4,6-Trihydroxybenzaldehyde, >=97%, AJ-29182, AN-45250, CC-07166, CJ-27130, LS-25168, SC-49966, ST095214, SY047039, AB0031484, AX8004708, DB-019833, ST2403645, TC-119439, FT-0609876, T1744, X4581, MFCD00003329 (98%), K-9192, 487T707, A827604, C-03264, I14-11155, InChI=1/C7H6O4/c8-3-5-6(10)1-4(9)2-7(5)11/h1-3,9-11, Phloroglucinolcarboxaldehyde, C7H6O4, Trihydroxy-2,4,6-benzaldehyde, C7-H6-O4, CID68099, AR-1D3085, 4-08-00-02717 (Beilstein Handbook Reference), 2,4,6-Trihydroxybenzaldehyde, 95% - 25G 25g, 5122-79-2,

Complexity	135
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.027g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	154.121g/mol
Monoisotopic Mass	154.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number