Text Search
Structure Search

methyl 3-oxo-2,4-dihydro-1,4-benzoxazine-7-carboxylate

methyl 3-oxo-2,4-dihydro-1,4-benzoxazine-7-carboxylate

CAS: 142166-00-5

Formula: C10H9NO4

SMILES: COC(=O)C1=CC2=C(NC(=O)CO2)C=C1

IUPAC: methyl 3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate

InChI: InChI=1S/C10H9NO4/c1-14-10(13)6-2-3-7-8(4-6)15-5-9(12)11-7/h2-4H,5H2,1H3,(H,11,12)

Composition: C (57.97%), H (4.38%), N (6.76%), O (30.89%)

Molar Mass: 207.185

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 207.053157774
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HBGXBRNLTSFTIG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.85
Topological Polar Surface Area 64.63
Polarizability 19.66
Ring Count 2
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <14 Days 142166-00-5 Quote Only