AG003N82

519-05-1 | 6-Formyl-2,3-dimethoxybenzoic acid

AG003N82

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CAS Number	519-05-1
Catalog Number	AG003N82(AGN-PC-0JL8BS)
Chemical Name	6-Formyl-2,3-dimethoxybenzoic acid
EC Number	208-261-4
IUPAC Name	6-formyl-2,3-dimethoxybenzoic acid
InChI	InChI=1S/C10H10O5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3,(H,12,13)
InChI Key	HVXXOIGTXJOVON-UHFFFAOYSA-N
MDL Number	MFCD00039572
Molecular Formula	C10H10O5
Molecular Weight	210.1834
NSC Number	35546
SMILES	O=C(O)C1=C(C=O)C=CC(OC)=C1OC
UNII	8Y12S106OW
Synonyms	5,6-dimethoxyphthalaldehydic acid, opianic acid, Opianic acid, 6-Formyl-2,3-dimethoxybenzoic acid, 519-05-1, 5,6-Dimethoxyphthalaldehydic acid, o-Veratric acid, 6-formyl-, 2,3-Dimethoxy-6-formylbenzoic acid, 5,6-Dimethoxy-2-formylbenzoic acid, 2-Carboxy-3,4-dimethoxybenzaldehyde, UNII-8Y12S106OW, NSC35546, 6-formyl-2,3-dimethoxy-benzoic acid, HVXXOIGTXJOVON-UHFFFAOYSA-N, 8Y12S106OW, W-105860, MFCD00039572, Opiansaure, EINECS 208-261-4, NSC 35546, ACMC-20alyv, Benzoic acid, 6-formyl-2,3-dimethoxy, Benzoic acid, 6-formyl-2,3-dimethoxy-, AC1Q6Q7C, Cambridge id 5106695, Oprea1_163445, CBDivE_002320, ARONIS24257, AC1L299S, SCHEMBL2799192, CTK8C5807, BBC/413, Phthalaldehydic acid,6-dimethoxy-, ZINC294707, BB_NC-00213, KS-000046WN, ZX-AS004621, ACM519051, BBL010650, NSC-35546, SBB017335, STK801676, 6-Formyl- 2,3-dimethoxybenzoic acid, AKOS004119845, Phthalaldehydic acid, 5,6-dimethoxy-, 6-Formyl-2,3-dimethoxybenzoic acid #, MCULE-6807025271, VZ22289, AN-45508, BP-10802, CC-06961, ST078300, AB1002800, DB-019764, TC-168142, FT-0611649, T7929, Phthalaldehydic acid, 5,6-dimethoxy- (8CI), Benzoic acid, 6-formyl-2,3-dimethoxy- (9CI), 519C051, C-10811, 5,6-Dimethoxyphthalaldehydic acid; 6-Formyl-2,3-dimethoxybenzoic acid, Benzoic acid,3-dimethoxy-, C10H10O5, CID68210, AR-1K9235, C10-H10-O5, 68779-67-9,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.053g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.185g/mol
Monoisotopic Mass	210.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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