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[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol

[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol

CAS: 2425-41-4

Formula: C12H16O4

SMILES: OCC1(CO)COC(OC1)C1=CC=CC=C1

IUPAC: [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol

InChI: InChI=1S/C12H16O4/c13-6-12(7-14)8-15-11(16-9-12)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2

Composition: C (64.27%), H (7.19%), O (28.54%)

Molar Mass: 224.256

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 224.104858995
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey DHWCGYXHBIWIPM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.61
Topological Polar Surface Area 58.92
Polarizability 23.28
Ring Count 2
Rotatable Bond Count 3

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