AG003QF4

831-61-8 | Ethyl 3,4,5-trihydroxybenzoate

AG003QF4

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CAS Number	831-61-8
Catalog Number	AG003QF4(AGN-PC-0D62TF)
Chemical Name	Ethyl 3,4,5-trihydroxybenzoate
EC Number	212-608-5
IUPAC Name	ethyl 3,4,5-trihydroxybenzoate
InChI	InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3
InChI Key	VFPFQHQNJCMNBZ-UHFFFAOYSA-N
MDL Number	MFCD00016430
Molecular Formula	C9H10O5
Molecular Weight	198.1727
NSC Number	402626
SMILES	O=C(OCC)C1=CC(O)=C(O)C(O)=C1
UNII	235I6UDD3L
Synonyms	ethyl 3,4,5-trihydroxybenzoate, ethyl gallate, ETHYL GALLATE, 831-61-8, Ethyl 3,4,5-trihydroxybenzoate, Gallic acid ethyl ester, Phyllemblin, Nipagallin A, Progallin A, Ethylgallate, Nipa No. 48, Gallic acid, ethyl ester, Benzoic acid, 3,4,5-trihydroxy-, ethyl ester, NIPA 48, 3,4,5-Trihydroxybenzoic acid ethyl ester, Ethyl-3,4,5-trihydroxybenzoate, Ethylester kyseliny gallove, UNII-235I6UDD3L, NSC 402626, Ethylester kyseliny gallove [Czech], EINECS 212-608-5, BRN 2116014, 235I6UDD3L, CHEMBL453196, CHEBI:87247, VFPFQHQNJCMNBZ-UHFFFAOYSA-N, MFCD00016430, NSC402626, AK-94174, Q-100846, Gallic acid ethyl ester, 99%, ethyl-gallate, ACMC-209prg, AC1L21CR, SCHEMBL39599, Ethyl 3,5-trihydroxybenzoate, Ethyl-3,5-trihydroxybenzoate, DTXSID2061195, CTK3I9864, KS-00000UUX, ZINC21790, BCP15872, HY-N0525, ANW-37658, BDBM50244948, ethyl 3,4,5-tris(oxidanyl)benzoate, SBB060353, STL303724, AKOS015838687, ANGC-831-61-8, 3,5-Trihydroxybenzoic acid ethyl ester, FCH1115869, MCULE-8091178078, NSC-402626, RTR-025915, TRA0026459, 4CN-0941, AC-11363, AJ-08436, AN-47754, CC-28918, DS-17928, E313, LS-71055, SC-16437, ST098712, ZB000787, 3,4,5-Trihydroxy-benzoic acid ethyl ester, AX8011261, Benzoic acid,4,5-trihydroxy-, ethyl ester, DB-056687, TR-025915, CS-0009060, E0854, FT-0626594, G0016, ST24030535, Ethyl Gallate(Ethyl 3,4,5-Trihydroxybenzoate), Ethyl gallate, antioxidant, >=96.0% (HPLC), A840515, C-09182, I01-1134, F1905-7042, 6359F896-3057-40AA-81CD-5734DCE29C20, D06CPD, Ethyl3,4,5-trihydroxybenzoate, C9H10O5, CID13250, C9-H10-O5, ACN-035528, 4-10-00-02002 (Beilstein Handbook Reference), EGR,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.053g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	198.174g/mol
Monoisotopic Mass	198.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87A^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-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number