AG0012CB

13677-79-7 | Benzaldehyde, 3,4,5-trihydroxy-

AG0012CB

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CAS Number	13677-79-7
Catalog Number	AG0012CB(AGN-PC-0JLUOC)
Chemical Name	Benzaldehyde, 3,4,5-trihydroxy-
EC Number	237-168-1
IUPAC Name	3,4,5-trihydroxybenzaldehyde
InChI	InChI=1S/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11H
InChI Key	RGZHEOWNTDJLAQ-UHFFFAOYSA-N
MDL Number	MFCD00003371
Molecular Formula	C7H6O4
Molecular Weight	154.1201
NSC Number	153692
SMILES	OC=1C=C(C=O)C=C(C1O)O
Synonyms	3,4,5-trihydroxybenzaldehyde, 3,4,5-Trihydroxybenzaldehyde, 13677-79-7, Gallaldehyde, benzaldehyde, 3,4,5-trihydroxy-, Gallic aldehyde, Pyrogallol-5-carboxaldehyde, CHEMBL254710, RGZHEOWNTDJLAQ-UHFFFAOYSA-N, MFCD00003371, 3,4,5-TRIHYDROXY BENZALDEHYDE, AK-58628, W-111728, EINECS 237-168-1, NSC153692, PubChem21300, 3,4,5-trihydroxybenz, ACMC-209c9s, 3,4,5-trihydroxybenzaldhyde, SCHEMBL132439, 3,4,5-trihydroxy-benzaldehyde, AC1L35V9, CTK0I3395, DTXSID10159917, 3,4,5-tris(oxidanyl)benzaldehyde, KS-00000Z7J, ZINC1564659, ZX-AT015309, ANW-20174, BDBM50234647, FCH832160, SBB063074, AKOS006228490, ACN-035940, CS-W004486, LS10699, MCULE-5980242854, NSC-153692, OR30631, 3,4,5-trihydroxybnezaldehyde monohydrate, AJ-27112, CJ-05377, CJ-24600, DS-16252, 3,4,5-trihydroxybenzaldehyde hydrate 97%, 3,4,5-Trihydroxybenzaldehyde, AldrichCPR, AX8081556, DB-021826, ST2404569, TC-108919, 4CH-018638, A2935, FT-0614151, ST50824445, 77T797, A807127, I01-0280, 3,4,5-trihydroxybenzaldehyde hydrate, 97%, dry wt. basis, InChI=1/C7H6O4/c8-3-4-1-5(9)7(11)6(10)2-4/h1-3,9-11, 1,8-Bis(phenylthio)anthraquinone, C7-H6-O4, CID83651, 3,4,5-trihydroxybenzaldehyde hydrate, 1,8-Bis(phenylthio)-9,10-anthracenedione, T2650, 3,4,5-Trihydroxybenzaldehyde, 98% - 1G 1g, 207742-88-9,

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	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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