3-[3-(tert-butoxy)phenyl]prop-2-enoic acid

3-[3-(tert-butoxy)phenyl]prop-2-enoic acid

CAS: 898405-11-3

Formula: C13H16O3

SMILES: CC(C)(C)OC1=CC=CC(C=CC(O)=O)=C1

IUPAC: 3-[3-(tert-butoxy)phenyl]prop-2-enoic acid

InChI: InChI=1S/C13H16O3/c1-13(2,3)16-11-6-4-5-10(9-11)7-8-12(14)15/h4-9H,1-3H3,(H,14,15)

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	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BKZBGYVDUSGMKZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.33
Topological Polar Surface Area	46.53
Polarizability	24.16
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	898405-11-3		$1,474.00-$3,894.00$1,474.00$2,596.00$3,894.00