AG00DLWG

5156-00-3 | 2-Methoxyterephthalic acid

AG00DLWG

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CAS Number	5156-00-3
Catalog Number	AG00DLWG(AGN-PC-0JP6J6)
Chemical Name	2-Methoxyterephthalic acid
IUPAC Name	2-methoxyterephthalic acid
InChI	InChI=1S/C9H8O5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key	VQBBXLZPRXHYBO-UHFFFAOYSA-N
MDL Number	MFCD20638219
Molecular Formula	C9H8O5
Molecular Weight	196.1568
NSC Number	137168
SMILES	O(C)c1c(C(=O)O)ccc(c1)C(=O)O
Synonyms	2-methoxyterephthalic acid, 5156-00-3, 2-methoxybenzene-1,4-dicarboxylic acid, NSC137168, methoxyterephthalic acid, AC1L5XON, AC1Q5TRZ, SCHEMBL966378, CTK1H1592, DTXSID80300479, ZINC1722892, MFCD20638219, AKOS022645223, NSC-137168, AJ-31038, SC-91229, 1,4-Benzenedicarboxylic acid, 2-methoxy-, ST2404471, CS-0061926, AR-1E3170, CID282998, 51865-82-8,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.037g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.158g/mol
Monoisotopic Mass	196.037g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	83.8A^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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