AG0033I0

642-71-7 | 3,4,5-Trimethoxyphenol

AG0033I0

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CAS Number	642-71-7
Catalog Number	AG0033I0(AGN-PC-0JL92K)
Chemical Name	3,4,5-Trimethoxyphenol
EC Number	211-387-2
IUPAC Name	3,4,5-trimethoxyphenol
InChI	InChI=1S/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H3
InChI Key	VTCDZPUMZAZMSB-UHFFFAOYSA-N
MDL Number	MFCD00008389
Molecular Formula	C9H12O4
Molecular Weight	184.1892
SMILES	OC1=CC(OC)=C(OC)C(OC)=C1
Synonyms	3,4,5-Trimethoxyphenol, Antiarol, 642-71-7, Phenol, 3,4,5-trimethoxy-, MFCD00008389, CHEBI:2760, 3,4,5-TRIMETHOXY PHENOL, VTCDZPUMZAZMSB-UHFFFAOYSA-N, 3,4,5-Trimethoxyphenol, 98.5+%, EINECS 211-387-2, Spectrum_000525, SpecPlus_000623, AI3-38432, 1,3,5-trimethoxyphenol, Spectrum3_001208, Spectrum4_001487, Spectrum5_000193, 3,4,5-trirnethoxyphenol, 3,4,5-trimethoxy-phenol, 3,4,5-?Trimethoxyphenol, C10765, AC1L2C0Z, BSPBio_002596, KBioGR_002093, KBioSS_001005, SPECTRUM200110, DivK1c_006719, SCHEMBL210578, AC1Q56J6, ACMC-1B666, CHEMBL1319047, CTK3J5040, KBio1_001663, KBio2_001005, KBio2_003573, KBio2_006141, KBio3_002096, 3,4,5-Trimethoxyphenol, 97%, DTXSID20214405, ZINC405113, ANW-46736, CT-422, AKOS005258271, AC-5984, CCG-214337, GF-0143, MCULE-1478686730, TRA-0184202, NCGC00095916-01, NCGC00095916-02, 4CN-0953, AJ-22434, AK-77045, AN-10409, SC-74937, ST092709, ZB013613, DB-054637, RT-002330, ST2404572, FT-0614170, FT-0614171, W1976, X-4180, SR-05000002420, I01-8859, SR-05000002420-1, W-104852, BRD-K28698314-001-01-3, BRD-K28698314-001-02-1, InChI=1/C9H12O4/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5,10H,1-3H, C9H12O4, CID69505, AR-1E8946, C9-H12-O4, ACN-036175, 3,4,5-Trimethoxyphenol, 98% - 25G 25g, 6624-04-0,

Complexity	137
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.191g/mol
Monoisotopic Mass	184.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	47.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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