3-(phenoxymethyl)pentanedioic acid

3-(phenoxymethyl)pentanedioic acid

Formula: C12H14O5

SMILES: OC(=O)CC(COC1=CC=CC=C1)CC(O)=O

IUPAC: 3-(phenoxymethyl)pentanedioic acid

InChI: InChI=1S/C12H14O5/c13-11(14)6-9(7-12(15)16)8-17-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)(H,15,16)

Composition: C (60.50%), H (5.92%), O (33.58%)

Molar Mass: 238.239

Atom Count: 31

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.084123551
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	KOHHJAFGFNVRLP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.8
Topological Polar Surface Area	83.83
Polarizability	23.16
Ring Count	1
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H14O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00