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8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine

8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine

CAS: 402933-49-7

Formula: C10H13NO2

SMILES: COC1=CC2=C(CNCCO2)C=C1

IUPAC: 8-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine

InChI: InChI=1S/C10H13NO2/c1-12-9-3-2-8-7-11-4-5-13-10(8)6-9/h2-3,6,11H,4-5,7H2,1H3

Composition: C (67.02%), H (7.31%), N (7.82%), O (17.85%)

Molar Mass: 179.219

Atom Count: 26

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 179.094628663
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YCWLGZVKXHEITQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.26
Topological Polar Surface Area 30.49
Polarizability 19.84
Ring Count 2
Rotatable Bond Count 1

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95% <2 Days 402933-49-7 $51.35-$1,845.23$51.35$63.37$86.31$235.98$1,318.65$1,845.23
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