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27929-83-5 | 3,4-Dihydro-6-isopropyl-2H-1,5-benzoxazocin-3-ol
CAS No: 27929-83-5 Catalog No: AG00BQVO MDL No:
Product Description
Catalog Number:
AG00BQVO
Chemical Name:
3,4-Dihydro-6-isopropyl-2H-1,5-benzoxazocin-3-ol
CAS Number:
27929-83-5
IUPAC Name:
6-propan-2-yl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
InChI:
InChI=1S/C13H17NO2/c1-9(2)13-11-5-3-4-6-12(11)16-8-10(15)7-14-13/h3-6,9-10,15H,7-8H2,1-2H3
InChI Key:
RUHUOIYIOUUNCU-UHFFFAOYSA-N
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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