C(C#CCO)O
CAS: 110-65-6
Name: but-2-yne-1,4-diol
SMILES: C(C#CCO)O

Molecular Processing

Molecular formula
C4H6O2
Molecular weight
86.09
Exact mass
86.0368
XLogP
-1.03
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
21.95

Supplementary Information

InChIKey: DLDJFQGPPSQZKI-UHFFFAOYSA-N
Synonyme
2-Butyne-1,4-diol110-65-6But-2-yne-1,4-diolButynediol1,4-Dihydroxy-2-butyne1,4-BUTYNEDIOLBis(hydroxymethyl)acetylene2-ButynediolAgrisynth B3D2-Butin-1,4-diolDTXSID40219211,4-ButinodiolButynediol-1,4AXH202FPQMNSC-8342-Butin-1,4-diol [Czechoslovakia]DTXCID901921CHEBI:164132-Butin-1,4-diol (Czechoslovakia)RefChem:860622-Butyne-1, 4-diolCHEBI:22970Advancedretinol Moisturizing Facial CreamDR.HUI B-HA Multi Effect Repair EssenceAuquest Advancedretinol Moisturizing Facial Cream203-788-62-BUTYNE-1,4-DIOL; ALLANTOIN; BETAINE; CENTELLA ASIATICA TRITERPENOIDS; ECTOINE; GLYCERYL GLUCOSIDE; HYALURONATE SODIUM; ISOAMYL MERCAPTAN; PENTYLENE GLYCOLNSC 8342-butyn-1,4-diol1,4-Dimethoxyacetylene
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