3-[4-(tert-butoxycarbonyl)phenyl]propanoic acid

3-[4-(tert-butoxycarbonyl)phenyl]propanoic acid

Formula: C14H18O4

SMILES: CC(C)(C)OC(=O)C1=CC=C(CCC(O)=O)C=C1

IUPAC: 3-{4-[(tert-butoxy)carbonyl]phenyl}propanoic acid

InChI: InChI=1S/C14H18O4/c1-14(2,3)18-13(17)11-7-4-10(5-8-11)6-9-12(15)16/h4-5,7-8H,6,9H2,1-3H3,(H,15,16)

Composition: C (67.18%), H (7.25%), O (25.57%)

Molar Mass: 250.294

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	250.12050906
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BVRFVGOIELRZBU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.8
Topological Polar Surface Area	63.6
Polarizability	26.32
Ring Count	1
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
99.72%	<7 Days	C14H18O4		$104.72-$1,019.15$104.72$175.78$351.56$1,019.15

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C14H18O4		Quote Only