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95071-86-6 | 5H-Oxazolo[2,3-a]isoquinoline, 2,3,6,10b-tetrahydro-
CAS No: 95071-86-6 Catalog No: AG005TFK MDL No:
Product Description
Catalog Number:
AG005TFK
Chemical Name:
5H-Oxazolo[2,3-a]isoquinoline, 2,3,6,10b-tetrahydro-
CAS Number:
95071-86-6
Molecular Formula:
C11H13NO
Molecular Weight:
175.2270
IUPAC Name:
3,5,6,10b-tetrahydro-2H-[1,3]oxazolo[2,3-a]isoquinoline
InChI:
InChI=1S/C11H13NO/c1-2-4-10-9(3-1)5-6-12-7-8-13-11(10)12/h1-4,11H,5-8H2
InChI Key:
HBZLXNBTRYNVLO-UHFFFAOYSA-N
SMILES:
C1CN2C(O1)c1ccccc1CC2
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.231g/mol
Monoisotopic Mass:
175.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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