AG003MS0

616-76-2 | 5-Formyl-2-hydroxybenzoic acid

AG003MS0

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CAS Number	616-76-2
Catalog Number	AG003MS0(AGN-PC-0JL8VZ)
Chemical Name	5-Formyl-2-hydroxybenzoic acid
EC Number	210-492-0
IUPAC Name	5-formyl-2-hydroxybenzoic acid
InChI	InChI=1S/C8H6O4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H,(H,11,12)
InChI Key	UTCFOFWMEPQCSR-UHFFFAOYSA-N
MDL Number	MFCD00006945
Molecular Formula	C8H6O4
Molecular Weight	166.1308
SMILES	O=C(O)C1=CC(C=O)=CC=C1O
Synonyms	3-formylsalicylic acid, 5-formylsalicylic acid, 5-Formylsalicylic acid, 616-76-2, 5-Formyl-2-hydroxybenzoic acid, 2-Hydroxy-5-formylbenzoic acid, Benzoic acid, 5-formyl-2-hydroxy-, 5-Formylsalicylicacid, 5-formylsalicylic acide, CHEMBL229240, 3-carboxy-4-hydroxybenzaldehyde, 5-formyl-2-hydroxy-benzoic acid, UTCFOFWMEPQCSR-UHFFFAOYSA-N, EINECS 210-492-0, PubChem10569, ACMC-209mva, 5-formyl salicylic acid, AC1L2BED, AC1Q5TPJ, KSC353C5J, SCHEMBL130917, 5-Formylsalicylic acid, 95%, 5-F-SA, AC1Q72I3, CTK2F3154, KS-00000CCY, UTCFOFWMEPQCSR-UHFFFAOYSA-, DTXSID60210608, CHEBI:137371, 5-Formyl-2-hydroxybenzoic acid #, 5-methanoyl-2-oxidanylbenzoic acid, ALBB-018293, NSC15046, NSC16527, ZINC1655486, ANW-33908, BDBM50219496, CF-892, EBD216766, MFCD00006945, NSC-15046, NSC-16527, SBB065186, AKOS002385546, AC-2904, LS10658, MCULE-4780936161, RL04334, TRA0063365, AJ-28855, AK128859, AN-13499, FS000819, SC-26965, SY003307, AB0010753, RT-004169, TL8003924, F0400, FT-0632580, ST24044758, ST50824884, M-2918, 5-Formylsalicylic acid, purum, >=95.0% (T), MFCD00006945 (97+%), 616F762, I01-7241, W-105118, InChI=1/C8H6O4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H,(H,11,12), C8H6O4, C8-H6-O4, CID69226, AR-1G8248, 5-Formylsalicylic acid, 98% - 1G 1g, 6289-62-9,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.027g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.132g/mol
Monoisotopic Mass	166.027g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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