C(C(CO)CO)O
CAS: 4704-94-3
Name: 2-(hydroxymethyl)propane-1,3-diol
SMILES: C(C(CO)CO)O

Molecular Processing

Molecular formula
C4H10O3
Molecular weight
106.12
Exact mass
106.063
XLogP
-1.42
TPSA
60.69
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
24.75

Supplementary Information

InChIKey: SFRDXVJWXWOTEW-UHFFFAOYSA-N
Synonyms
4704-94-3Trimethylolmethane2-(Hydroxymethyl)-1,3-propanediolTris(hydroxymethyl)methane1,3-Propanediol, 2-(hydroxymethyl)-UNII-7CJB6585WX7CJB6585WXPropane, 1,3-dihydroxy-2-hydroxymethyl-EINECS 225-187-8DTXSID50197010RefChem:191794DTXCID60119501225-187-8SFRDXVJWXWOTEW-UHFFFAOYSA-N2-(Hydroxymethyl)propane-1,3-diol2-Hydroxymethyl-1,3-propanediolMFCD001922172-hydroxymethylpropane-1,3-diol2-methylolpropane-1,3-diolSCHEMBL37777SCHEMBL95725SCHEMBL261422SCHEMBL57888902-hydroxymethyl-propane-1,3-diol2-(hydroxymethyl) propane-1,3-diol2-(hydroxymethyl)-1,3-propane-diolPropane-1,3-diol, 2-hydroxymethyl-AKOS0158563822-(Hydroxymethyl)-1,3-propanediol #CS-W005889
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Involved in 45 reactions→

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