Text Search
Structure Search

(1s,3s)-3-[(benzyloxy)methyl]cyclobutane-1-carboxylic acid

(1s,3s)-3-[(benzyloxy)methyl]cyclobutane-1-carboxylic acid

CAS: 2576420-79-4

Formula: C13H16O3

SMILES: OC(=O)[C@@H]1C[C@H](COCC2=CC=CC=C2)C1

IUPAC: (1s,3s)-3-[(benzyloxy)methyl]cyclobutane-1-carboxylic acid

InChI: InChI=1/C13H16O3/c14-13(15)12-6-11(7-12)9-16-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,14,15)/t11-,12+

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 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XHFZODBRACUFTI-TXEJJXNPNA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.41
Topological Polar Surface Area 46.53
Polarizability 23.69
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2576420-79-4 $540.50-$6,762.00$540.50$966.00$1,817.00$6,762.00
Request Quote