AG00G32S

821-11-4 | (2E)-But-2-ene-1,4-diol

AG00G32S

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CAS Number	821-11-4
Catalog Number	AG00G32S(AGN-PC-0OINIM)
Chemical Name	(2E)-But-2-ene-1,4-diol
IUPAC Name	(E)-but-2-ene-1,4-diol
InChI	InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1+
InChI Key	ORTVZLZNOYNASJ-OWOJBTEDSA-N
MDL Number	MFCD00063207
Molecular Formula	C4H8O2
Molecular Weight	88.1051
SMILES	C(C=CCO)O
UNII	0P6354W2W1
Synonyms	2-butene-1,4-diol, penitricin C, penitricin C, (E)-isomer, penitricin C, (Z)-isomer, 2-Butene-1,4-diol, (E)-but-2-ene-1,4-diol, 821-11-4, trans-2-Butene-1,4-diol, Penitricin C, 2-butene-1,4-diol, (2E)-, 2-Buten-1,4-diol, Agrisynth B2D, Caswell No. 120, 110-64-5, but-2-ene-1,4-diol, 2-Butene, 1,4-dihydroxy-, (E)-2-Butene-1,4-diol, UNII-0P6354W2W1, (2E)-but-2-ene-1,4-diol, HSDB 5540, 6117-80-2, NSC 1260, 1,4-DIHYDROXY-2-BUTENE, EINECS 203-787-0, EPA Pesticide Chemical Code 220100, AI3-07551, (2E)-2-Butene-1,4-diol, ORTVZLZNOYNASJ-OWOJBTEDSA-N, 0P6354W2W1, 2-Butene-1,4-diol,c&t, Q-200249, 2-Butene-1,4-diol(cis+trans), (2E)-2-Butene-1,4-diol #, ORTVZLZNOYNASJ-UHFFFAOYSA-N, MFCD00063207, 2-BUTENE-1,4-DIOL (TRANS), zlchem 1295, AC1Q7BUP, DSSTox_CID_6849, EC 203-787-0, Trans-2-buten-1,4-diol, AC1L41RU, trans 2-butene-1,4-diol, (e)-2-buten-1,4-diol, DSSTox_RID_78227, DSSTox_GSID_26849, trans-1,4-Dihydroxy-2-butene, C20H25N7O6.2Na, Jsp000811, CHEMBL3188586, InChI=1/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1, 2-Butene-1,4-diol, (E)-, 2-Butene-1,4-diol,(2E)-, ZLE0070, CS-B0322, ZINC5112523, Tox21_202430, STL453720, AKOS000121146, FCH2253251, FCH4162418, LS-2083, NE10244, RP18496, RTR-002177, 2-Butene-1,4-diol, cis/trans mixture, NCGC00249224-01, NCGC00259979-01, AN-22615, BBV-50256126, CAS-110-64-5, CJ-12424, SC-82263, TC-126249, TR-002177, B3384, Z3450, I14-16742, UNII-2I323Z5567 component ORTVZLZNOYNASJ-OWOJBTEDSA-N, Butenediol, 1,4-Butenediol, cis-2-Butene-1,4-Diol, SULFANILIC ACID, BUD (CHRIS Code), UNII-ZA7VGU6SCV, (2-Butene-1,4-diol), 4-Aminobenzenesulfonic acid, C4H8O2, (Z)-2-Butene-1,4-diol, Dihydroxy-2-butene, 1,4-;, UNII-2I323Z5567, 2-Butene-1,4-diol, (Z)-, 2-butene-1,4-diol, (2Z)-, C4-H8-O2, EINECS 228-085-1, AR-1D9766, CID175854, 5-Methyltetrahydrofolic acid disodium salt, 2I323Z5567, trans-2-Butene-1,4-diol, 95% - 1G 1g, Dihydroxy-2-butene, 1,4-; (2-Butene-1,4-diol), 121-57-3, 6270-27-5, 68792-52-9,

Complexity	34.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	88.052g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	88.106g/mol
Monoisotopic Mass	88.052g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
UN Code	\N

Certificate of Analysis

Lot Number