2-[(4-methoxyphenyl)methyl]-5-methylidene-1,3-dioxane

2-[(4-methoxyphenyl)methyl]-5-methylidene-1,3-dioxane

CAS: 1397182-01-2

Formula: C13H16O3

SMILES: COC1=CC=C(CC2OCC(=C)CO2)C=C1

IUPAC: 2-[(4-methoxyphenyl)methyl]-5-methylidene-1,3-dioxane

InChI: InChI=1S/C13H16O3/c1-10-8-15-13(16-9-10)7-11-3-5-12(14-2)6-4-11/h3-6,13H,1,7-9H2,2H3

Composition: C (70.89%), H (7.32%), O (21.79%)

Molar Mass: 220.268

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.109944375
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MLAKSHCYVUNJIX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.69
Topological Polar Surface Area	27.69
Polarizability	24.23
Ring Count	2
Rotatable Bond Count	3

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95%	<5 Days	1397182-01-2		$2,200.00-$3,520.00$2,200.00$2,860.00$3,520.00