AG002ZMM

3031-66-1 | Hex-3-yne-2,5-diol

AG002ZMM

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CAS Number	3031-66-1
Catalog Number	AG002ZMM(AGN-PC-0I96SM)
Chemical Name	Hex-3-yne-2,5-diol
EC Number	221-209-5
IUPAC Name	hex-3-yne-2,5-diol
InChI	InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3
InChI Key	KDOWHHULNTXTNS-UHFFFAOYSA-N
MDL Number	MFCD00004542
Molecular Formula	C6H10O2
Molecular Weight	114.1424
NSC Number	409184
SMILES	CC(O)C#CC(O)C
UNII	538TMM2U3G
Synonyms	hex-3-yne-2,5-diol, 3-HEXYNE-2,5-DIOL, 3031-66-1, 3-Hexyn-2,5-diol, Hexyne-3-diol-2,5, 3-Hexyne-3,5-diol, UNII-538TMM2U3G, Bis(1-hydroxyethyl)acetylene, EINECS 221-209-5, NSC 409184, BRN 1720667, 538TMM2U3G, KDOWHHULNTXTNS-UHFFFAOYSA-N, 3081-66-1, NSC409184, 3-Hexin-2,5-diol, AC1L2BJI, ACMC-1ADY6, EC 221-209-5, DSSTox_CID_24910, DSSTox_RID_80579, NCIOpen2_003576, DSSTox_GSID_44910, SCHEMBL66883, 3-01-00-02271 (Beilstein Handbook Reference), WLN: QY1&1UU1YQ1, 3-Hexyne-2,5-diol, 97%, CHEMBL3187998, DTXSID3044910, CTK1C2894, 3-Hexyne-2,5-diol, dl + meso, KS-00000WN1, Tox21_301736, ANW-26831, MFCD00004542, SBB067653, AKOS015841113, NSC-409184, RTR-013037, NCGC00256234-01, AN-20886, LS-75751, CAS-3031-66-1, TR-013037, CS-0077161, FT-0656189, I14-4753, C6H10O2, CID18198, C6-H10-O2, H0574,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	114.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	114.144g/mol
Monoisotopic Mass	114.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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