AG005GEF

71590-08-4 | METHYL 5-METHOXY-ISOPHTHALATE

AG005GEF

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CAS Number	71590-08-4
Catalog Number	AG005GEF(AGN-PC-05W3TO)
Chemical Name	METHYL 5-METHOXY-ISOPHTHALATE
IUPAC Name	3-methoxy-5-methoxycarbonylbenzoic acid
InChI	InChI=1S/C10H10O5/c1-14-8-4-6(9(11)12)3-7(5-8)10(13)15-2/h3-5H,1-2H3,(H,11,12)
InChI Key	PMYOJVWSJTZGDJ-UHFFFAOYSA-N
MDL Number	MFCD03840746
Molecular Formula	C10H10O5
Molecular Weight	210.1834
SMILES	O=C(O)C1=CC(C(OC)=O)=CC(OC)=C1
Synonyms	71590-08-4, 3-METHOXY-5-(METHOXYCARBONYL)BENZOIC ACID, METHYL 5-METHOXYISOPHTHALATE, Methyl 5-methoxy-isophthalate, AK144091, 3-METHOXYCARBONYL-5-METHOXYBENZOIC ACID, A1-02226, SCHEMBL56890, 1,3-Benzenedicarboxylic acid, 5-methoxy-, 1-methyl ester, PMYOJVWSJTZGDJ-UHFFFAOYSA-N, ZINC2513856, ZX-CM010117, 5906AJ, MFCD03840746, AKOS015960827, CM-1072, 5-methoxyisophthalic acid monomethyl ester, AC-12330, AJ-36897, SY026766, 5-methoxy-isophthalic acid monomethyl ester, AB0104452, AX8139174, MFCD03840746 (95%), W-2982, 590M084, C10H10O5, CID11020136, 3-methoxy-5-methoxycarbonyl-benzoic Acid,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.053g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.185g/mol
Monoisotopic Mass	210.053g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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