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ethyl 6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

ethyl 6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

CAS: 176383-56-5

Formula: C12H15NO3

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

IUPAC: ethyl 6-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate

InChI: InChI=1/C12H15NO3/c1-3-15-12(14)11-7-13-9-6-8(2)4-5-10(9)16-11/h4-6,11,13H,3,7H2,1-2H3

Composition: C (65.14%), H (6.83%), N (6.33%), O (21.69%)

Molar Mass: 221.256

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 221.105193347
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XWBIKKKQPPGDEW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.13
Topological Polar Surface Area 47.56
Polarizability 23.17
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 176383-56-5 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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