AG00APSS

18621-75-5 | 1,4-Diacetoxy-2-butene

AG00APSS

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CAS Number	18621-75-5
Catalog Number	AG00APSS(AGN-PC-09OFVS)
Chemical Name	1,4-Diacetoxy-2-butene
EC Number	606-075-1
IUPAC Name	[(E)-4-acetyloxybut-2-enyl] acetate
InChI	InChI=1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3+
InChI Key	VZUAUHWZIKOMFC-ONEGZZNKSA-N
MDL Number	MFCD00077968
Molecular Formula	C8H12O4
Molecular Weight	172.1785
SMILES	CC(OC/C=C/COC(C)=O)=O
Synonyms	But-2-ene-1,4-diyl diacetate, 18621-75-5, 1,4-Diacetoxy-2-butene, 2-Butene-1,4-diol, diacetate, trans-2-Butene-1,4-diol diacetate, VZUAUHWZIKOMFC-ONEGZZNKSA-N, 2-Butene-1,4-diol diacetate, TRANS-1,4-DIACETOXY-2-BUTENE, 1576-98-3, AK-88403, AC1LCVQC, SCHEMBL74779, 2-Butene-1,4-dioldiacetate, 2-Buten-1,4-diol, diacetate, (E)-1,4-Diacetoxy-2-butene, 4-(Acetyloxy)-2-butenyl acetate, ZINC5161153, (E)-but-2-ene-1,4-diyl diacetate, [(E)-4-acetoxybut-2-enyl] acetate, AKOS006228874, AKOS025310512, [(E)-4-acetyloxybut-2-enyl] acetate, (2E)-4-(Acetyloxy)-2-butenyl acetate, AJ-53388, BBV-71579760, CJ-12480, DS-18468, AB0023038, AX8072356, ST2419172, TC-133910, 4CH-015075, W4022, M-7453, 57859-48-0, Diacetoxy-2-butene (1,4-), C8H12O4, AIDS017709, CID638131,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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