C(C=CCO)O
CAS: 110-64-5
Nombre: but-2-ene-1,4-diol
SMILES: C(C=CCO)O

Molecular Processing

Molecular formula
C4H8O2
Molecular weight
88.11
Exact mass
88.0524
XLogP
-0.47
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
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
23.31

Supplementary Information

InChIKey: ORTVZLZNOYNASJ-UHFFFAOYSA-N
Sinónimos
2-Butene-1,4-diol110-64-5DTXSID9026849Butenediol1,4-DIHYDROXY-2-BUTENEAgrisynth B2DDTXCID90809569NSC-976NSC-12602I323Z5567RefChem:570515203-787-02-Butene-1,4-diol(cis+trans)but-2-ene-1,4-diol2-Buten-1,4-diolZ/E-But-2-ene-1,4-diorac-2-?Butene-?1,?4-?dioltrans-1,4-Dihydroxy-2-butene(Z)2-Butene-1,4-Diol1,4dihydroxybut-2-eneSCHEMBL4121998% (GC)(isomers mixture)cis,trans-2-Buten-1,4-diolSCHEMBL7716429SCHEMBL28642757AKOS025243549FT35198SB83803FB158451SY060402
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