AG003J5L

10602-36-5 | 4,4-Dimethoxy-1-butene

AG003J5L

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CAS Number	10602-36-5
Catalog Number	AG003J5L(AGN-PC-0JNTGC)
Chemical Name	4,4-Dimethoxy-1-butene
IUPAC Name	4,4-diethoxybut-1-ene
InChI	InChI=1S/C8H16O2/c1-4-7-8(9-5-2)10-6-3/h4,8H,1,5-7H2,2-3H3
InChI Key	PRCYIYOCMALJCX-UHFFFAOYSA-N
MDL Number	MFCD00012219
Molecular Formula	C6H12O2
Molecular Weight	116.1583
NSC Number	83289
SMILES	C=CCC(OC)OC
Synonyms	4,4-diethoxybut-1-ene, 3-Butenal diethyl acetal, 10602-36-5, 1-Butene, 4,4-diethoxy-, NSC83289, 3-butenal-diethylacetal, 3-Butenal diethylacetal, AC1L5UKO, 4,4-Diethoxy-1-butene, ACMC-20an82, AC1Q35EV, AC1Q58KA, SCHEMBL1162241, 3-Butenal diethyl acetal, 97%, CTK0I2615, DTXSID80292502, PRCYIYOCMALJCX-UHFFFAOYSA-N, ZINC409357, ALBB-018579, MFCD00012219, NSC-83289, AKOS015997648, ZB013969, TC-169769, FT-0636748, R1234, J-001525, AR-1F7847, CID256426, 116355-83-0,

Complexity	75.3
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	144.115g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	144.214g/mol
Monoisotopic Mass	144.115g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

Lot Number