AG0033IM

139-85-5 | 3,4-Dihydroxybenzaldehyde

AG0033IM

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CAS Number	139-85-5
Catalog Number	AG0033IM(AGN-PC-00TTYX)
Chemical Name	3,4-Dihydroxybenzaldehyde
EC Number	205-377-7
IUPAC Name	3,4-dihydroxybenzaldehyde
InChI	InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
InChI Key	IBGBGRVKPALMCQ-UHFFFAOYSA-N
MDL Number	MFCD00003370
Molecular Formula	C7H6O3
Molecular Weight	138.1207
NSC Number	22961
SMILES	O=Cc1ccc(O)c(O)c1
UNII	4PVP2HCH4T
Synonyms	3,4-dihydroxybenzaldehyde, protocatechualdehyde, protocatechualdehyde, 3H-labeled, protocatechualdehyde, formyl-14C-labeled, protocatechuic aldehyde, rancinamycin IV, 3,4-Dihydroxybenzaldehyde, Protocatechualdehyde, 139-85-5, Rancinamycin IV, PROTOCATECHUIC ALDEHYDE, Benzaldehyde, 3,4-dihydroxy-, 3,4-Dihydroxybenzenecarbonal, 4-Formyl-1,2-dihydroxybenzene, 3,4-dihydroxy-benzaldehyde, 4-Formyl-1,2-benzenediol, 1,2-Dihydroxy-4-formylbenzene, UNII-4PVP2HCH4T, MFCD00003370, NSC 22961, CHEBI:50205, 3,4-Dihydroxybenzaldehyde, 97%, EINECS 205-377-7, 4PVP2HCH4T, 3,4-dihydroxy benzaldehyde, 3,4-Dihydroxybenzyl aldehyde, MLS000069606, IBGBGRVKPALMCQ-UHFFFAOYSA-N, SMR000059038, 134998-43-9, 2,5-Cyclohexadien-1-one, 2-hydroxy-4-(hydroxymethylene)-, 4-Formylcatechol, ACMC-20mvlo, PubChem8231, Opera_ID_356, AC1L1RNP, 3,4 dihydroxybenzaldehyde, 3-4-dihydroxybenzaldehyde, 4,5-Dihydroxybenzaldehyde, ACMC-1BU4F, 3, 4-Dihydroxybenzaldehyde, 4-Formylbenzene-1,2-diol, 3,4-DHBAOP, SCHEMBL36350, KSC174Q9D, MLS001148401, AC1Q6Q41, AC1Q78G5, CHEMBL222021, MEGxm0_000158, DTXSID4074512, ACon1_001620, CTK0B9895, CTK0H4891, Nc 033, ZINC13245, HMS2236H03, HMS3370F03, ACN-S002767, BCP00880, HY-N0295, KS-000002OG, NSC22961, ANW-20526, BBL010377, CP0106, EBD970769, NSC-22961, SBB040269, STL146017, AKOS000119507, Benzaldehyde, 3,4-dihydroxy- (9CI), 3,4-Dihydroxybenzaldehyde, homopolymer, CM13991, CS-W009195, DB11268, LS10200, MCULE-8201140117, PS-5533, RP20407, RTR-032901, TRA0091487, NCGC00180319-01, 4CN-0731, AC-10830, AJ-08356, AK-39223, AN-43839, BP-11465, BR-39223, CJ-00132, SC-01003, SY001411, ZB000709, AB0008392, AB1003652, LS-125886, ST2417247, TR-032901, AM20020464, D0566, FT-0614322, N2276, ST50202222, AZ0001-0159, 3,4-Dihydroxybenzaldehyde, analytical standard, 39D855, A14824, A15221, D-3480, M-6274, MFCD00003370 (97+%), AR-360/40191185, I01-0489, 3,4-Dihydroxybenzaldehyde, purum, >=97.0% (HPLC), 4-(Hydroxymethylene)-2-hydroxy-2,5-cyclohexadien-1-one, F2190-0614, 3,4-Dihydroxybenzaldehyde, Vetec(TM) reagent grade, 97%, InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10, catechaldehyde, 3,5-Dibromopyridine, Benzaldehyde,4-dihydroxy-, C7H6O3, protocatechualdehyde, 3H-labeled, CID8768, C7-H6-O3, AR-1L2499, ACN-036642, protocatechualdehyde, formyl-14C-labeled, C16700, 3,4-Dihydroxybenzaldehyde, 98% - 100G 100g, C005581, 14131-92-1, 625-92-3,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.032g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	138.122g/mol
Monoisotopic Mass	138.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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