AG003FM1

490-64-2 | 2,4,5-Trimethoxybenzoic Acid

AG003FM1

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CAS Number	490-64-2
Catalog Number	AG003FM1(AGN-PC-0JK9HB)
Chemical Name	2,4,5-Trimethoxybenzoic Acid
EC Number	207-715-9
IUPAC Name	2,4,5-trimethoxybenzoic acid
InChI	InChI=1S/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12)
InChI Key	KVZUCOGWKYOPID-UHFFFAOYSA-N
MDL Number	MFCD00002435
Molecular Formula	C10H12O5
Molecular Weight	212.1993
SMILES	O=C(O)c1cc(OC)c(OC)cc1(OC)
Synonyms	2,4,5-Trimethoxybenzoic acid, 490-64-2, Asaronic acid, Benzoic acid, 2,4,5-trimethoxy-, KVZUCOGWKYOPID-UHFFFAOYSA-N, MFCD00002435, Asarylic acid, Calamonic acid, EINECS 207-715-9, ACMC-209ket, AI3-38428, AC1L1UUW, AC1Q5TJ8, 2,4,5-TrimethoxybenzoicAcid, KSC489O7D, SCHEMBL347214, 2,4,5-trimethoxy-benzoic acid, DTXSID4060076, CTK3I9771, KS-00000CNX, ZINC388242, AC1Q4905, BCP10509, EBD39166, ANW-30723, CT0088, SBB040530, 2,4,5-Trimethoxybenzoic acid, 99%, AKOS000120293, MCULE-7475512083, RP26671, RTR-017764, TRA0074534, VZ22372, AC-23556, AJ-20507, AK-47586, AN-45264, AS-12059, BR-47586, L021, SC-25607, SY013542, AB0006588, AB1004250, DB-019816, TL8003281, TR-017764, AM20060636, FT-0609814, ST24032269, ST50213896, M-5266, MFCD00002435 (97+%), 490T642, I01-1220, Q-200174, Z219997488, alpha-Hydroxyphenylacetic acid; Amygdalic acid; alpha-Hydroxyphenylacetic acid; alpha-Hydroxy-benzeneacetic acid, InChI=1/C10H12O5/c1-13-7-5-9(15-3)8(14-2)4-6(7)10(11)12/h4-5H,1-3H3,(H,11,12, dl-Mandelic acid, C10H12O5, CID10276, AR-1D2964, 2,3,4-TRIMETHOXYBENZOIC ACID, C10-H12-O5, T2627, 2,4,5-Trimethoxybenzoic acid, 99% - 25G 25g, 573-11-5, 59039-52-0, 90-64-2,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.068g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.201g/mol
Monoisotopic Mass	212.068g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	65A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number