AG003LGF

619-12-5 | 4-Formyl-3-hydroxybenzoic acid

AG003LGF

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CAS Number	619-12-5
Catalog Number	AG003LGF(AGN-PC-0JOWVQ)
Chemical Name	4-Formyl-3-hydroxybenzoic acid
IUPAC Name	4-formyl-3-hydroxybenzoic acid
InChI	InChI=1S/C8H6O4/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-4,10H,(H,11,12)
InChI Key	FDDHFCWYCKQKGY-UHFFFAOYSA-N
MDL Number	MFCD05865188
Molecular Formula	C8H6O4
Molecular Weight	166.1308
NSC Number	249767
SMILES	O=C(O)C1=CC=C(C=O)C(O)=C1
Synonyms	4-Formyl-3-hydroxybenzoic acid, 619-12-5, Benzoic acid,4-formyl-3-hydroxy-, Benzoic acid, 4-formyl-3-hydroxy-, NSC249767, 4-Carboxysalicyaldehyde, ACMC-1B2V4, SCHEMBL850871, AC1L7W57, 3-Hydroxy-4-formylbenzoic acid, 4-Formyl 3-hydroxybenzoic acid, 4-formyl-3-hydroxy-benzoic acid, CTK5B4021, DTXSID90312083, FDDHFCWYCKQKGY-UHFFFAOYSA-N, ZINC1767839, 4-methanoyl-3-oxidanyl-benzoic acid, ANW-46852, CF-118, GEO-01436, MFCD05865188, AKOS015889987, 4-Formyl-3-hydroxybenzoic acid, 97%, CS-W007759, MP-0316, NSC-249767, TRA0041002, TS-7250, VZ29125, KS-00000K63, AJ-31672, AK-30254, SC-21520, AB0025850, ST2418382, TX-017011, 4CH-013084, FT-0646392, W7396, A833482, 3-Formyl-4-hydroxybenzoic acid, 4-Formyl-3-hydroxybenzoicacid, C8H6O4, CID317508, ACN-030438, 584-87-2,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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