Text Search
Structure Search

2-{[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl}benzoic acid

2-{[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl}benzoic acid

CAS: 909366-62-7

Formula: C19H19NO5

SMILES: OC(=O)C1=C(C=CC=C1)C(=O)NC1=CC(OCC2CCCO2)=CC=C1

IUPAC: 2-({3-[(oxolan-2-yl)methoxy]phenyl}carbamoyl)benzoic acid

InChI: InChI=1/C19H19NO5/c21-18(16-8-1-2-9-17(16)19(22)23)20-13-5-3-6-14(11-13)25-12-15-7-4-10-24-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21)(H,22,23)

Composition: C (66.85%), H (5.61%), N (4.10%), O (23.43%)

Molar Mass: 341.363

Atom Count: 44

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 341.126322716
Formal Charge 0
FSP3 0.26
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey HQUSBJMZYXBBOH-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.57
Topological Polar Surface Area 84.86
Polarizability 35.14
Ring Count 3
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 909366-62-7 $212.83-$327.27$212.83$327.27
Request Quote