AG003IHN

99-50-3 | 3,4-Dihydroxybenzoic acid

AG003IHN

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CAS Number	99-50-3
Catalog Number	AG003IHN(AGN-PC-0WA7RO)
Chemical Name	3,4-Dihydroxybenzoic acid
EC Number	202-760-0
FEMA Number	4430
IUPAC Name	3,4-dihydroxybenzoic acid
InChI	InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
InChI Key	YQUVCSBJEUQKSH-UHFFFAOYSA-N
MDL Number	MFCD00002509
Molecular Formula	C7H6O4
Molecular Weight	154.1201
NSC Number	16631
SMILES	C1=C(C=CC(=C1O)O)C(O)=O
UNII	36R5QJ8L4B
Synonyms	3,4-dihydroxybenzoic acid, protocatechuic acid, protocatechuic acid, carboxy-14C-labeled, protocatechuic acid, monosodium salt, 3,4-DIHYDROXYBENZOIC ACID, protocatechuic acid, 99-50-3, 4-Carboxy-1,2-dihydroxybenzene, Protocatehuic acid, protocatechuate, Benzoic acid, 3,4-dihydroxy-, 4,5-Dihydroxybenzoic acid, 3,4-Dihydroxybenzoicacid, UNII-36R5QJ8L4B, MFCD00002509, CCRIS 6291, EINECS 202-760-0, NSC 16631, 3, 4-Dihydroxybenzoic acid, BRN 1448841, CHEMBL37537, MLS000737807, 36R5QJ8L4B, CHEBI:36062, YQUVCSBJEUQKSH-UHFFFAOYSA-N, 1ykp, 3,4-dihydroxybenzoic acid (protocatechuic acid), Protocatechuic acid polymer, Catechol-4-carboxylic Acid, 3,4-Dihydroxybenzoic acid, 97%, NSC16631, 3,4-dihydroxybenzoes, Benzoic acid, 3,4-dihydroxy- (9CI), DB03946, SMR000528167, 3,4-Dihydroxy Benzoic Acid, C00230, D-3487, b-Resorcylate, beta-Resorcylate, 4fht, protocatechuic-acid, Protacatechuic Acid, cid_72, ACMC-209scu, AC1Q5TRL, Protocatechuic Acid,(S), DSSTox_CID_1212, Protocatechuic acid (M1), bmse000328, 3,4-dihydroxy-benzoic acid, DSSTox_RID_76012, DSSTox_GSID_21212, SCHEMBL39435, KSC486M3D, 3,4-Dihydroxybenzoate, VIII, Pyrocatechol-4-carboxylic Acid, AC1L18F1, AC1Q732Z, DTXSID4021212, CTK3I6631, KS-00000COI, ZINC13246, HMS2270A17, KUC104409N, ACN-S002778, ACT07872, HY-N0294, Tox21_200167, ANW-41020, BBL012232, BDBM50100861, CP0105, NSC-16631, SBB061371, STL163570, AKOS000119632, AC-9617, CCG-207950, CS-6092, KSC-10-128, LS-7685, MCULE-8964889860, RP21802, RTR-032902, TRA0078616, CAS-99-50-3, Oxidative polymer of protocatechuic acid, NCGC00246757-01, NCGC00246757-02, NCGC00257721-01, AJ-08357, AK-47644, AS-10808, BR-47644, SC-46684, SY014104, AB0008267, AB1002236, DB-021903, ST2417248, TR-032902, AM20060767, FT-0600028, N2466, ST50824448, 3,4-Dihydroxybenzoic acid, >=97.0% (T), 3,4-Dihydroxybenzoic acid, analytical standard, M-3133, MFCD00002509 (97+%), 002D509, AE-562/40524392, I01-2896, 976C8CCE-B25D-4E0A-9A6F-3CEEA7A6964F, 3,4-Dihydroxybenzoic acid, Vetec(TM) reagent grade, 97%, Protocatechuic acid, primary pharmaceutical reference standard, Protocatechuic acid, United States Pharmacopeia (USP) Reference Standard, InChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11, 3,4-dihydroxybenzoate, b-resorcylic acid, beta-Resorcylic acid, 2,4-dihydroxybenzoate, 3,4-dihydroxybenzoesyre, 3,4-dihydrobenzoic acid, 2,4-dihydroxybenzoic acid, Benzoic acid,4-dihydroxy-, C7H6O4, 3,4-Diacetoxy-benzoic acid, CID72, 3,4-DIACETOXY-BENZOICACID, C7-H6-O4, protocatechuic acid, monosodium salt, AR-1E9213, c0055, ACN-035759, CS-O-31060, 3,4-Dihydroxybenzoic acid, 97% 25g, protocatechuic acid, carboxy-14C-labeled, Protocatechuic acid, 99% - 100G 100g, 4-10-00-01459 (Beilstein Handbook Reference), C009091, DHB, 58534-64-8, 6334-12-9, Pca, POP,

Complexity	157
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	1.1

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

Lot Number