AG000Q08

120-14-9 | Benzaldehyde, 3,4-dimethoxy-

AG000Q08

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CAS Number	120-14-9
Catalog Number	AG000Q08(AGN-PC-07A1XK)
Chemical Name	Benzaldehyde, 3,4-dimethoxy-
EC Number	204-373-2
FEMA Number	3109
IUPAC Name	3,4-dimethoxybenzaldehyde
InChI	InChI=1S/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
InChI Key	WJUFSDZVCOTFON-UHFFFAOYSA-N
MDL Number	MFCD00003363
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	O=Cc1ccc(OC)c(OC)c1
UNII	UI88P68JZD
Synonyms	3,4-dimethoxybenzaldehyde, veratraldehyde, 3,4-Dimethoxybenzaldehyde, VERATRALDEHYDE, 120-14-9, Veratric aldehyde, Methylvanillin, Vanillin methyl ether, Veratral, Veratryl aldehyde, Benzaldehyde, 3,4-dimethoxy-, Veratrum aldehyde, p-Veratric aldehyde, 4-O-Methylvanillin, 3,4-Dimethoxy benzaldehyde, 3,4-Dimethoxybenzenecarbonal, Protocatechualdehyde dimethyl ether, Protocatechuic aldehyde dimethyl ether, Protocatechuecaldehyde dimethyl ether, 3,4-DIMETHOXY-BENZALDEHYDE, UNII-UI88P68JZD, MFCD00003363, NSC 24521, FEMA No. 3109, CCRIS 6285, EINECS 204-373-2, 3, 4-Dimethoxybenzaldehyde, BRN 0473899, UI88P68JZD, AI3-08099, CHEBI:17098, FEMA 3109, WJUFSDZVCOTFON-UHFFFAOYSA-N, 3,4-dimethoxybenzaldehyde (veratraldehyde), Benzaldehyde,4-dimethoxy-, DSSTox_CID_6285, DSSTox_RID_78087, DSSTox_GSID_26285, WLN: VHR CO1 DO1, 3,4-Dimethoxybenzaldehyde, 99+%, CAS-120-14-9, Veratrumaldehyde, Verapamil Impurity G, PubChem8238, VERATRYLALDEHYDE, 3,4dimethoxybenzaldehyde, 3,4-dimethoxybenzaldeyde, AC1L1QYK, AC1Q4FDU, 3,4 dimethoxybenzaldehyde, 3,4-dimethoxybenzaidehyde, 4,3-dimethoxybenzaldehyde, 4,5-dimethoxybenzaldehyde, ACMC-209a6e, bmse010220, SCHEMBL25202, KSC175E8J, Veratraldehyde, >=98%, FG, AC1Q46T0, CHEMBL1088937, DTXSID7026285, CTK0H5284, TIMTEC-BB SBB040236, NSC8500, 3,4-Dimethoxybenzaldehyde, 99%, OTAVA-BB 1180632, 3,4-DIMETHOXYBENZALDEHHYDE, ZINC155456, ACT06905, KS-00000AZ9, NSC-8500, NSC24521, AKOS BBS-00003208, Tox21_201566, Tox21_303074, ANW-17460, BBL010373, LABOTEST-BB LT00235863, LABOTEST-BB LT03331050, LS-628, NSC-24521, SBB040236, STK188425, Vanillin methyl ether; Veratraldehyde, AKOS000118989, ACN-051072, AS02987, CM13990, CS-W019906, MCULE-1202068347, NE10275, RP22905, RTC-010113, TRA0003531, NCGC00091642-01, NCGC00091642-02, NCGC00091642-03, NCGC00257217-01, NCGC00259115-01, 4CN-0811, AC-10201, AJ-13584, AK-46721, AN-22815, AS-11996, BC622797, BR-46721, CJ-01437, SC-00570, SY004136, TL806334, ZB006061, Benzaldehyde, 3,4-dimethoxy-veratraldehyde, AB1000043, DB-014213, ST2410267, TC-010113, AM20050100, D0507, FT-0600118, ST45169641, MFCD00003363 (98%), C02201, 107052-EP2295423A1, 107052-EP2298744A2, 107052-EP2374783A1, 107052-EP2377841A1, AH-034/32845024, I01-2283, W-108485, F2190-0618, InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H, Verapamil Related Compound E, United States Pharmacopeia (USP) Reference Standard, 3,4-Dimethoxybenzaldehyde (Verapamil Related Compound E - USP), Pharmaceutical Secondary Standard; Certified Reference Material, Vratraldhyde, Methyl vanillin, 2-Formylphenylboronic acid, Aldehyde dimethoxy-3,4-benzoique, C9H10O3, CID8419, AR-1L8134, C9-H10-O3, 3,4-Dimethoxy[7-13C]-benzaldehyde, H0850, 4-08-00-01765 (Beilstein Handbook Reference), 3,4-Dimethoxybenzaldehyde, 99% - 100G 100g, 12070-07-4,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^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-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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