AG003FLZ

35094-87-2 | 2,4,5-Trihydroxybenzaldehyde

AG003FLZ

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CAS Number	35094-87-2
Catalog Number	AG003FLZ(AGN-PC-0JU8JK)
Chemical Name	2,4,5-Trihydroxybenzaldehyde
IUPAC Name	2,4,5-trihydroxybenzaldehyde
InChI	InChI=1S/C7H6O4/c8-3-4-1-6(10)7(11)2-5(4)9/h1-3,9-11H
InChI Key	WNCNWLVQSHZVKV-UHFFFAOYSA-N
MDL Number	MFCD00016592
Molecular Formula	C7H6O4
Molecular Weight	154.1201
SMILES	c1c(c(cc(c1O)O)O)C=O
Synonyms	2,4,5-trihydroxybenzaldehyde, 35094-87-2, benzaldehyde, 2,4,5-trihydroxy-, MFCD00016592, 2,4,5-Trihydroxybenzaldehyde, 99%, ACMC-1AG53, 4,5-dihydroxy-salicylaldehyde, SCHEMBL441302, 2,4,5-Trihydroxy-benzaldehyde, AC1LD747, CHEMBL3415884, Benzaldehyde,2,4,5-trihydroxy-, CTK4H3542, DTXSID60349164, WNCNWLVQSHZVKV-UHFFFAOYSA-N, BDBM152419, 2,4,5-trihydroxybenzaldehyde (6), ZINC2566020, ZX-AT015841, 4307AB, ANW-28061, BBL101094, STL554888, AKOS005256977, FCH1118575, OR54382, VZ22369, AJ-41208, CC-07104, AX8004707, DB-048721, TC-116806, A6155, FT-0609811, ST50824447, KS-00001591, X-4164, 094T872, C-03270, I01-5948, J-019868, InChI=1/C7H6O4/c8-3-4-1-6(10)7(11)2-5(4)9/h1-3,9-11, C7H6O4, CID643387, ZINC02566020, T1766,

Complexity	147
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	P280a-P304+P340-P405-P501a-P261-P305+P351+P338
UN Code

Certificate of Analysis

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