AG003H71

57598-51-3 | 2-Ethyl-3-methoxybenzoic acid

AG003H71

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CAS Number	57598-51-3
Catalog Number	AG003H71(AGN-PC-0NI84F)
Chemical Name	2-Ethyl-3-methoxybenzoic acid
IUPAC Name	2-ethyl-3-methoxybenzoic acid
InChI	InChI=1S/C10H12O3/c1-3-7-8(10(11)12)5-4-6-9(7)13-2/h4-6H,3H2,1-2H3,(H,11,12)
InChI Key	RXCOEMMGBRUEEG-UHFFFAOYSA-N
MDL Number	MFCD11100772
Molecular Formula	C10H12O3
Molecular Weight	180.2005
SMILES	O=C(O)C1=CC=CC(OC)=C1CC
Synonyms	2-ETHYL-3-METHOXYBENZOIC ACID, 57598-51-3, 2-Ethyl-3-methoxybenzoicacid, 2-Ethyl-3-methoxy-benzoic acid, Benzoic acid, 2-ethyl-3-methoxy-, MFCD11100772, PubChem22099, 3-Methoxy-2-ethylbenzoicacid, KSC495K0F, AMBZ0087, SCHEMBL1987451, CTK3J5502, KS-00000CVM, DTXSID80482244, RXCOEMMGBRUEEG-UHFFFAOYSA-N, ACT05542, ANW-47858, CE-845, QC-412, RB3020, ZINC35570085, AKOS006309782, AM85829, DS-1569, FS-3364, RL04173, TRA0077925, AJ-91563, AK-46131, AN-39922, AT-16538, BR-46131, SY023075, AB0025608, DB-003895, RT-002557, ST2409966, 4CH-015598, A8211, FT-0660365, W7097, EC-000.2265, S-5642, MFCD11100772 (97+%), 598E513, I01-7903, Q-101250, 2-Ethylpiperazine, 2-ethoxy-3-methoxybenzoic acid, C10H12O3,

Complexity	179
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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