AG002S2Z

261767-10-6 | 1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-, ethyl ester

AG002S2Z

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CAS Number	261767-10-6
Catalog Number	AG002S2Z(AGN-PC-0WAMT6)
Chemical Name	1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-, ethyl ester
IUPAC Name	ethyl 2,3-dihydro-1,4-benzodioxine-5-carboxylate
InChI	InChI=1S/C11H12O4/c1-2-13-11(12)8-4-3-5-9-10(8)15-7-6-14-9/h3-5H,2,6-7H2,1H3
InChI Key	BAWCYPPHRYLPKS-UHFFFAOYSA-N
MDL Number	MFCD12090273
Molecular Formula	C11H12O4
Molecular Weight	208.2106
SMILES	O=C(C1=C2OCCOC2=CC=C1)OCC
Synonyms	Ethyl 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate, 261767-10-6, SCHEMBL5212249, KS-00000PDH, BAWCYPPHRYLPKS-UHFFFAOYSA-N, ethyl 1,4-benzodioxan-5-carboxylate, MFCD12090273, ZINC36330654, AKOS008655297, AJ-92620, AK-76254, DS-16635, CS-0085187, ST24046755, 1,4-Benzodioxin-5-carboxylic acid, 2,3-dihydro-, ethyl ester, 2,3-dihydrobenzo[1,4]dioxin-5-carboxylic acid ethyl ester,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.213g/mol
Monoisotopic Mass	208.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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