AG00C8DK

326-56-7 | METHYL 1,3-BENZODIOXOLE-5-CARBOXYLATE

AG00C8DK

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CAS Number	326-56-7
Catalog Number	AG00C8DK(AGN-PC-0JL7WH)
Chemical Name	METHYL 1,3-BENZODIOXOLE-5-CARBOXYLATE
EC Number	206-309-9
IUPAC Name	methyl 1,3-benzodioxole-5-carboxylate
InChI	InChI=1S/C9H8O4/c1-11-9(10)6-2-3-7-8(4-6)13-5-12-7/h2-4H,5H2,1H3
InChI Key	QCHGUEIECOASJU-UHFFFAOYSA-N
MDL Number	MFCD00030273
Molecular Formula	C9H8O4
Molecular Weight	180.1574
NSC Number	21790
SMILES	O=C(C1=CC=C(OCO2)C2=C1)OC
UNII	VAB2E5C0S5
Synonyms	methyl piperonylate, 326-56-7, Methyl piperonylate, Methyl 1,3-benzodioxole-5-carboxylate, methyl benzo[d][1,3]dioxole-5-carboxylate, Methyl 3,4-methylenedioxybenzoate, 1,3-Benzodioxole-5-carboxylic acid, methyl ester, methyl 2H-1,3-benzodioxole-5-carboxylate, UNII-VAB2E5C0S5, VAB2E5C0S5, Piperonylic acid, methyl ester, QCHGUEIECOASJU-UHFFFAOYSA-N, 1,3-Benzodioxole-5-carboxylic acid methyl ester, EINECS 206-309-9, NSC 21790, ACMC-1CRDT, AI3-30387, 1,3-Benzodioxole-5-carboxylicacid methylester, methylbenzodioxolecarboxylate, AC1L27VW, AC1Q5Z9U, SCHEMBL133049, AC1Q43O9, CHEMBL2252109, DTXSID2059809, CTK4G9071, ZINC397788, NSC21790, ANW-27396, MFCD00030273, NSC-21790, SBB089638, STK411796, AKOS000295899, Piperonylic acid, methyl ester (8CI), MCULE-8766007327, RP10864, AJ-21672, CJ-03736, Methyl 1,3-benzodioxole-5-carboxylate #, DB-068673, ST2419533, TR-033583, FT-0680602, ST45163443, EN300-28653, KS-00002004, A18639, 1,3-Benzodioxole-5-carboxylicacid, methyl ester, 7W-0842, J-018821, J-522590, I01-16012, methyl 2H-benzo[3,4-d]1,3-dioxolane-5-carboxylate, methyl 2H-benzo[3,4-d]1,3-dioxolene-5-carboxylate, Methyl 2-phenylacrylate, 1, METHYL ESTER, C9H8O4, C9-H8-O4, CID67590, AR-1J6135, methyl1,3-benzodioxole-5-carboxylate, 1865-29-8, 33524-03-7,

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	1.4

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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