AG0078S2

36669-02-0 | Dimethyl 3-hydroxyphthalate

AG0078S2

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CAS Number	36669-02-0
Catalog Number	AG0078S2(AGN-PC-0WAJ6B)
Chemical Name	Dimethyl 3-hydroxyphthalate
IUPAC Name	dimethyl 3-hydroxybenzene-1,2-dicarboxylate
InChI	InChI=1S/C10H10O5/c1-14-9(12)6-4-3-5-7(11)8(6)10(13)15-2/h3-5,11H,1-2H3
InChI Key	BQGDDMMXPRJQHZ-UHFFFAOYSA-N
MDL Number	MFCD22490931
Molecular Formula	C10H10O5
Molecular Weight	210.1834
SMILES	O=C(OC)C1=CC=CC(O)=C1C(OC)=O
Synonyms	dimethyl 3-hydroxyphthalate, 36669-02-0, dimethyl 3-hydroxy-phthalate, BQGDDMMXPRJQHZ-UHFFFAOYSA-N, 1,2-dimethyl 3-hydroxybenzene-1,2-dicarboxylate, 3-hydroxyphthalic acid dimethyl ester, Dimethyl 3-hydroxybenzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, 3-hydroxy-, dimethyl ester, SCHEMBL157121, CTK1B6185, DTXSID80481212, 1,2-Benzenedicarboxylic acid, 3-hydroxy-, 1,2-dimethyl ester, STR11245, MFCD22490931, ZINC75618753, AKOS022649971, AK241852, CS-0061805, X3641, L-3565, 3-hydroxy-benzene-1,2-dicarboxylic acid dimethyl ester, F2147-1056, Benzene-1,2-dicarboxylic acid, 3-hydroxy, dimethyl ester, C10H10O5, ACN-054101,

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	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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