AG00H2V9

862574-89-8 | 1-(1,3-Benzodioxol-5-yl)cyclopropanecarboxylic Acid

AG00H2V9

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CAS Number	862574-89-8
Catalog Number	AG00H2V9(AGN-PC-00152C)
Chemical Name	1-(1,3-Benzodioxol-5-yl)cyclopropanecarboxylic Acid
IUPAC Name	1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
InChI	InChI=1S/C11H10O4/c12-10(13)11(3-4-11)7-1-2-8-9(5-7)15-6-14-8/h1-2,5H,3-4,6H2,(H,12,13)
InChI Key	NZZVDTIYQUASAT-UHFFFAOYSA-N
MDL Number	MFCD09907922
Molecular Formula	C11H10O4
Molecular Weight	206.1947
SMILES	O=C(C1(C2=CC=C(OCO3)C3=C2)CC1)O
Synonyms	862574-89-8, 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxylic acid, 1-Benzo[1,3]dioxol-5-yl-cyclopropanecarboxylic acid, 1-(1,3-BENZODIOXOL-5-YL)CYCLOPROPANECARBOXYLIC ACID, 1-(2H-1,3-BENZODIOXOL-5-YL)CYCLOPROPANE-1-CARBOXYLIC ACID, 1-(benzo[d)[1,3]dioxol-6-yl)cyclopropanecarboxylic acid, 1-BENZO(1,3)DIOXOL-5-YL-CYCLOPROPANECARBOXYLIC ACID, 1-(BENZO[D][1,3]DIOXOL-6-YL)CYCLOPROPANECARBOXYLIC ACID, SCHEMBL699497, CTK7I5727, DTXSID90559254, NZZVDTIYQUASAT-UHFFFAOYSA-N, 3487AC, ANW-69300, MFCD09907922, ZINC20429469, AKOS009265992, AB54698, KS-0000245W, AJ-77489, AK-32169, EN002697, SY104767, DB-076588, TC-158045, CS-0088378, FT-0757913, MFCD09907922 (95%), A1-00530, 1-benzo[1,3]-dioxol-5-yl-cyclopropanecarboxylic acid, 1-Benzo[1,3]dioxo1-5-yl-cyclopropanecarboxylic Acid, 1-(1,3-Benzodioxol-5-yl)cyclopropane-carboxylic acid, Cyclopropanecarboxylic acid, 1-(1,3-benzodioxol-5-yl)-, 1-(benzo[d][1,3]dioxol-5-yl)-cyclopropanecarboxylic acid, 1-(benzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxylic acid, 1-BENZOL[1,3]DIOXOL-5-YL-CYCLOPROPANECARBOXYLIC ACID, C11H10O4, CS-4125, 1-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxylicacid,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.058g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.197g/mol
Monoisotopic Mass	206.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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