Text Search
Structure Search

3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

CAS: 90563-93-2

Formula: C9H9NO3

SMILES: OC(=O)C1CNC2=C(O1)C=CC=C2

IUPAC: 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid

InChI: InChI=1/C9H9NO3/c11-9(12)8-5-10-6-3-1-2-4-7(6)13-8/h1-4,8,10H,5H2,(H,11,12)

Composition: C (60.33%), H (5.06%), N (7.82%), O (26.79%)

Molar Mass: 179.175

Atom Count: 22

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 179.058243154
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey VNTNLTOJGXENIZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.58
Topological Polar Surface Area 58.56
Polarizability 17.5
Ring Count 2
Rotatable Bond Count 1

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 90563-93-2 $172.85-$766.94$172.85$257.72$766.94
Request Quote
Key Organics Ltd
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 90563-93-2 $51.35-$180.26$51.35$63.37$86.31$113.62$180.26
Request Quote
Acrotein ChemBio Inc.,
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 90563-93-2 $138.24-$620.16$138.24$207.36$620.16
Request Quote