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27827-64-1

27827-64-1 | 2H-1,5-Benzoxazocin-3-ol, 3,4-dihydro-3,6-dimethyl-

CAS No: 27827-64-1 Catalog No: AG002UVG MDL No:

Product Description

Catalog Number:
AG002UVG
Chemical Name:
2H-1,5-Benzoxazocin-3-ol, 3,4-dihydro-3,6-dimethyl-
CAS Number:
27827-64-1
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
3,6-dimethyl-2,4-dihydro-1,5-benzoxazocin-3-ol
InChI:
InChI=1S/C12H15NO2/c1-9-10-5-3-4-6-11(10)15-8-12(2,14)7-13-9/h3-6,14H,7-8H2,1-2H3
InChI Key:
LKESLTLVHWUQRM-UHFFFAOYSA-N
SMILES:
CC1=NCC(C)(O)COc2c1cccc2

Properties

Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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