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938459-13-3 | 10-METHOXY-3,4,5,6-TETRAHYDRO-2H-BENZO[B][1,5]OXAZOCINE
CAS No: 938459-13-3 Catalog No: AG005ZUO MDL No:MFCD09055380
Product Description
Catalog Number:
AG005ZUO
Chemical Name:
10-METHOXY-3,4,5,6-TETRAHYDRO-2H-BENZO[B][1,5]OXAZOCINE
CAS Number:
938459-13-3
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD09055380
IUPAC Name:
10-methoxy-3,4,5,6-tetrahydro-2H-1,5-benzoxazocine
InChI:
InChI=1S/C11H15NO2/c1-13-10-5-2-4-9-8-12-6-3-7-14-11(9)10/h2,4-5,12H,3,6-8H2,1H3
InChI Key:
HXTYUGLBGRVXSD-UHFFFAOYSA-N
SMILES:
COc1cccc2c1OCCCNC2
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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