CAS: 7426-71-3
이름: 2-(hydroxymethyl)-2-propylpropane-1,3-diol
SMILES:
CCCC(CO)(CO)COMolecular Processing
Molecular formula
C7H16O3
Molecular weight
148.2
Exact mass
148.1099
XLogP
-0.25
TPSA
60.69
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
10
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
38.6
Supplementary Information
InChIKey: SZSSMFVYZRQGIM-UHFFFAOYSA-N
동의어
Butylidynetrimethanol2-(hydroxymethyl)-2-propylpropane-1,3-diol7426-71-3S5Z4UV3PFW1,3-Propanediol, 2-(hydroxymethyl)-2-propyl-NSC-97516trimethylolbutaneNSC97516EINECS 231-065-5UNII-S5Z4UV3PFW2-(Hydroxymethyl)-2-propyl-1,3-propanediolSCHEMBL39090DTXSID10225267NSC 975162-propyl-2-hydroxymethyl-1,3-propanediol2-hydroxymethyl-2-n-propylpropan-1,3-diol2-n-propyl-2-hydroxymethyl-propan-1,3-diolNS00037605InChI=1/C7H16O3/c1-2-3-7(4-8,5-9)6-10/h8-10H,2-6H2,1H
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