AG003M68

61683-99-6 | Piperonal propyleneglycol acetal

AG003M68

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CAS Number	61683-99-6
Catalog Number	AG003M68(AGN-PC-0JLCME)
Chemical Name	Piperonal propyleneglycol acetal
EC Number	262-897-7
FEMA Number	4622
IUPAC Name	5-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole
InChI	InChI=1S/C11H12O4/c1-7-5-12-11(15-7)8-2-3-9-10(4-8)14-6-13-9/h2-4,7,11H,5-6H2,1H3
InChI Key	HXNSADTWQWLFCB-UHFFFAOYSA-N
MDL Number	MFCD13194964
Molecular Formula	C11H12O4
Molecular Weight	208.2106
NSC Number	406081
SMILES	CC1OC(C2=CC=C(OCO3)C3=C2)OC1
Synonyms	61683-99-6, 5-(4-Methyl-1,3-dioxolan-2-yl)benzo[d][1,3]dioxole, Piperonal propyleneglycol acetal, 5-(4-Methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole, 1,3-Benzodioxole, 5-(4-methyl-1,3-dioxolan-2-yl)-, piperonal propylene glycol acetal, 4-(4-Methyl-1,3-dioxolan-2-yl)-1,2-methylenedioxybenzene, AK142705, EINECS 262-897-7, Heliotropin PG acetal, AI3-20182, AC1Q6ZVC, 1,3-Benzodioxole, 5-(4-methyl-1,3-dioxolan-2-yl), AC1L2Q70, SCHEMBL18338920, Heliotropine propyleneglycol acetal, HXNSADTWQWLFCB-UHFFFAOYSA-N, heliotropyl propylene glycol acetal, Heliotropine propylene glycol acetal, MFCD13194964, NSC406081, AKOS015951112, NSC-406081, 1, 5-(4-methyl-1,3-dioxolan-2-yl), AN-39227, AS-44344, 1, 5-(4-methyl-1,3-dioxolan-2-yl)-, AB1008270, AX8282517, TR-021234, M2483, KS-00000220, 683P996, 5-(4-Methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole #, 1-(4-Methyl-1,3-dioxolan-2-yl)-3,4-methylenebisoxybenzene, UNII-174R7G1LAM, 174R7G1LAM, CC1COC(O1)c2ccc3OCOc3c2, C11H12O4, AR-1L1124, CID101144, C11-H12-O4, 5-(4-Methyl-1,3-Dioxolan-2-yl)-1,3-Benzodioxole;Heliotropin PG Acetal, 98534-80-6,

Complexity	233
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	1
Topological Polar Surface Area	36.9A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

Lot Number