AG003RJL

33842-16-9 | Methyl benzo[d][1,3]dioxole-4-carboxylate

AG003RJL

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CAS Number	33842-16-9
Catalog Number	AG003RJL(AGN-PC-0JP98D)
Chemical Name	Methyl benzo[d][1,3]dioxole-4-carboxylate
IUPAC Name	methyl 1,3-benzodioxole-4-carboxylate
InChI	InChI=1S/C9H8O4/c1-11-9(10)6-3-2-4-7-8(6)13-5-12-7/h2-4H,5H2,1H3
InChI Key	KRPFJCUXHWEVMS-UHFFFAOYSA-N
MDL Number	MFCD01546796
Molecular Formula	C9H8O4
Molecular Weight	180.1574
NSC Number	146459
SMILES	O=C(C1=C2OCOC2=CC=C1)OC
Synonyms	33842-16-9, methyl benzo[d][1,3]dioxole-4-carboxylate, methyl 1,3-benzodioxole-4-carboxylate, methyl 2H-1,3-benzodioxole-4-carboxylate, 1,3-Benzodioxole-4-carboxylic acid, methyl ester, Methyl1,3-benzodioxole-4-carboxylate, NSC146459, AC1Q5ZAE, AC1L66L9, SCHEMBL3534783, CTK4H1314, DTXSID80301805, KRPFJCUXHWEVMS-UHFFFAOYSA-N, KS-00000BC7, ZINC1728754, ANW-57050, MFCD01546796, AKOS006240683, CS-W002782, DS-2221, NSC-146459, QC-4886, TRA0055299, AJ-31155, AK-78847, AM803723, CJ-06917, SC-27032, SY003497, AB0058641, ST2413492, TC-071918, 4CH-009431, Z4614, M-8336, MFCD01546796 (97+%), 842M169, benzo[1,3]dioxole-4-carboxylic acid methyl ester, I14-13114, C9H8O4, AR-1J4245, CID287065, 3407-00-9,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.042g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.159g/mol
Monoisotopic Mass	180.042g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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