CAS: 148254-22-2
名称: 4-(2-phenyl-1,3-dioxolan-4-yl)butan-1-ol
SMILES:
C1C(OC(O1)C2=CC=CC=C2)CCCCOMolecular Processing
Molecular formula
C13H18O3
Molecular weight
222.28
Exact mass
222.1256
XLogP
2.26
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
60.94
Supplementary Information
InChIKey: NOHMXHKKCXAPKY-UHFFFAOYSA-N
同義語
1,3-Dioxolane-4-butanol, 2-phenyl-148254-22-2NSC394274-(2-phenyl-1,3-dioxolan-4-yl)butan-1-olSCHEMBL888246DTXSID20284865NOHMXHKKCXAPKY-UHFFFAOYSA-NNSC-394274-[(2-Phenyl)-1,3-dioxolan4-yl]-1-butanol4-(4-hydroxy-1-butyl)-2-phenyl-1,3 dioxolane4-[(2-Phenyl)-1,3-dioxolan-4-yl]-1-butanol
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