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138713-48-1

138713-48-1 | 5,2-Benzoxazonine, 1,2,3,4,6,7-hexahydro-2-methyl-

CAS No: 138713-48-1 Catalog No: AG00192P MDL No:

Product Description

Catalog Number:
AG00192P
Chemical Name:
5,2-Benzoxazonine, 1,2,3,4,6,7-hexahydro-2-methyl-
CAS Number:
138713-48-1
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
IUPAC Name:
2-methyl-3,4,6,7-tetrahydro-1H-5,2-benzoxazonine
InChI:
InChI=1S/C12H17NO/c1-13-7-9-14-8-6-11-4-2-3-5-12(11)10-13/h2-5H,6-10H2,1H3
InChI Key:
WFHKTRIHJAJELZ-UHFFFAOYSA-N
SMILES:
CN1CCOCCc2c(C1)cccc2

Properties

Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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