AG003372

110-64-5 | 2-Butene-1,4-diol, cis/trans mixture

AG003372

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CAS Number	110-64-5
Catalog Number	AG003372(AGN-PC-00G6B9)
Chemical Name	2-Butene-1,4-diol, cis/trans mixture
IUPAC Name	but-2-ene-1,4-diol
InChI	InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2
InChI Key	ORTVZLZNOYNASJ-UHFFFAOYSA-N
MDL Number	MFCD00002924
Molecular Formula	C4H8O2
Molecular Weight	88.1051
SMILES	OC/C=C/CO
Synonyms	2-butene-1,4-diol, penitricin C, penitricin C, (E)-isomer, penitricin C, (Z)-isomer, 110-64-5, 6117-80-2, but-2-ene-1,4-diol, (Z)2-Butene-1,4-Diol, (Z)-but-2-ene-1,4-diol, 1,4-DIHYDROXY-2-BUTENE, 2-butene-1,4-diol, (2Z)-, 2-Butene-1,4-diol(cis+trans), ORTVZLZNOYNASJ-UHFFFAOYSA-N, ACMC-209mpt, 1,4dihydroxybut-2-ene, ACMC-209pn6, AC1L1Q6O, ACMC-1B7E8, KSC490I5P, Z/E-But-2-ene-1,4-dio, CTK0H7973, CTK3J0457, CTK8B2363, KS-00000VAS, ANW-33711, ANW-37504, ANW-43903, AKOS025243549, MCULE-9559211408, TRA0058903, KS-00000W96, KS-0000163D, AK00910188, B0811, FT-0611630, FT-0623898, FT-0701262, 2-Butene-1,4-diol(cis- and trans- mixture), 2-Butene-1,4-diol, Penitricin C, Butenediol, Agrisynth B2D, 1,4-Butenediol, cis-2-Butene-1,4-Diol, trans-2-Butene-1,4-diol, 2-Buten-1,4-diol, Caswell No. 120, BUD (CHRIS Code), UNII-ZA7VGU6SCV, (Z)-2-Butene-1,4-diol, (2-Butene-1,4-diol), (E)-but-2-ene-1,4-diol, C4H8O2, Dihydroxy-2-butene, 1,4-;, (2E)-but-2-ene-1,4-diol, HSDB 5540, 2-Butene-1,4-diol, (Z)-, CID8065, UNII-2I323Z5567, C4-H8-O2, NSC 1260, EINECS 203-787-0, EINECS 228-085-1, EPA Pesticide Chemical Code 220100, AI3-07551, EC 203-787-0, 821-11-4, Dihydroxy-2-butene, 1,4-; (2-Butene-1,4-diol), 2-Butene-1,4-diol, 98%, mixture of cis and trans - 100G 100g, 107834-03-7,

Complexity	34.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
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	1
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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