AG003FM0

4460-86-0 | Benzaldehyde, 2,​4,​5-​trimethoxy-

AG003FM0

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CAS Number	4460-86-0
Catalog Number	AG003FM0(AGN-PC-0JKFC6)
Chemical Name	Benzaldehyde, 2,​4,​5-​trimethoxy-
EC Number	224-713-3
IUPAC Name	2,4,5-trimethoxybenzaldehyde
InChI	InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3
InChI Key	IAJBQAYHSQIQRE-UHFFFAOYSA-N
MDL Number	MFCD00003312
Molecular Formula	C10H12O4
Molecular Weight	196.1999
NSC Number	89299
SMILES	C(=O)c1c(OC)cc(c(c1)OC)OC
UNII	NDU8J2Q00D
Synonyms	2,4,5-trimethoxybenzaldehyde, TMBZ, 2,4,5-TRIMETHOXYBENZALDEHYDE, 4460-86-0, Asaronaldehyde, Asaraldehyde, Asarylaldehyde, 3,4,6-Trimethoxybenzaldehyde, Azarylaldehyde, Benzaldehyde, 2,4,5-trimethoxy-, Gazarin, NSC 89299, NCI-C61632, UNII-NDU8J2Q00D, MFCD00003312, 2,4,5-trimethoxy-benzaldehyde, CCRIS 1296, HSDB 4502, EINECS 224-713-3, 14374-62-0, BRN 1951403, NDU8J2Q00D, AI3-36671, 2,4,5-Trimethoxy benzaldehyde, IAJBQAYHSQIQRE-UHFFFAOYSA-N, 2,4,5-Trimethoxybenzaldehyde, 98%, NCGC00091253-05, SMR000112148, Acrolein(Propenal), PubChem8263, Spectrum_000818, Spectrum2_000386, Spectrum3_000170, Spectrum4_001759, Spectrum5_000618, ACMC-1ADV9, Asaraldehyde-Asaronaldehyde, DSSTox_CID_2217, 2,5-Trimethoxybenzaldehyde, 3,6-Trimethoxybenzaldehyde, AC1L2GG7, DSSTox_RID_76523, DSSTox_GSID_22217, Asaraldehyde (Asaronaldehyde), Asaraldehyde - Asaronaldehyde, BSPBio_001639, KBioGR_002238, KBioSS_001298, SPECTRUM200208, 4-08-00-02715 (Beilstein Handbook Reference), KSC236C5N, MLS002473312, MLS002695891, MLS006011864, 2,4,5-Trimethoxybenzaldheyde, SCHEMBL333451, SPBio_000571, 2,4,5-Trimethoxy-benzaldehyd, 3,4, 6-Trimethoxybenzaldehyde, AC1Q490G, PARAGOS 530447, CHEMBL1164301, DTXSID1022217, CTK1D6156, KBio2_001298, KBio2_003866, KBio2_006434, KBio3_001139, KS-00000KKZ, TIMTEC-BB SBB040214, CHEBI:113543, Asarylaldehyde, analytical standard, BCPP000436, HMS1922P08, HMS2268O16, HMS3656M12, ZINC336939, BCP02914, NSC89299, AKOS BBS-00003175, Tox21_400070, ANW-30143, BBL011033, CCG-38657, LABOTEST-BB LT00926884, LABOTEST-BB LT03330935, LABOTEST-BB LT03381259, NSC-89299, s2531, SBB040214, STK802187, AKOS000119399, AC-4247, AS02818, BCP9000230, CS-6035, LS-1267, LS10199, MCULE-7174618286, PS-6109, RP25437, RTR-017129, SDCCGMLS-0066425.P001, TRA0030137, NCGC00091253-01, NCGC00091253-02, NCGC00091253-03, NCGC00091253-04, NCGC00091253-06, NCGC00091253-07, 4CA-0107, AJ-19817, AK-81441, AN-12166, SC-04555, ST093686, SY015794, TL806230, ZB010841, 2,4,5-Trimethoxybenzaldehyde, 9CI, 8CI, BCP0726000304, CAS-4460-86-0, AB1004251, DB-051236, HY-100580, ST2415708, TR-017129, Asarylaldehyde, NSC 89299;4460-86-0, FT-0609813, SW219241-1, 60T860, A26620, K-8969, MFCD00003312 (97+%), AP-065/41884113, SR-05000002433, I01-1219, Q-100162, SR-05000002433-1, BRD-K88219015-001-02-5, BRD-K88219015-001-05-8, F2190-0582, 2,4,5-Trimethoxybenzaldehyde, Vetec(TM) reagent grade, 98%, InChI=1/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H, ACROLEIN, 2,4,5-trimethoxy-, Benzaldehyde,4,5-trimethoxy-, C10H12O4, CID20525, ACN-047343, C10-H12-O4, B1456, T1172, A10090, 2,4,5-Trimethoxybenzaldehyde, 98% - 100G 100g,

Complexity	183
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.202g/mol
Monoisotopic Mass	196.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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