2-(2-phenyl-1,3-dioxan-5-yl)propane-1,3-diol

2-(2-phenyl-1,3-dioxan-5-yl)propane-1,3-diol

CAS: 1260789-17-0

Formula: C13H18O4

SMILES: OCC(CO)C1COC(OC1)C1=CC=CC=C1

IUPAC: 2-(2-phenyl-1,3-dioxan-5-yl)propane-1,3-diol

InChI: InChI=1S/C13H18O4/c14-6-11(7-15)12-8-16-13(17-9-12)10-4-2-1-3-5-10/h1-5,11-15H,6-9H2

Composition: C (65.53%), H (7.61%), O (26.86%)

Molar Mass: 238.283

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.12050906
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BLNWWFPVUPACDN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.55
Topological Polar Surface Area	58.92
Polarizability	25.12
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1260789-17-0		$1,000.00-$1,700.00$1,000.00$1,420.00$1,700.00