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27827-60-7 | 2H-1,5-Benzoxazocin-3-ol, 3,4-dihydro-6-(4-methylphenyl)-
CAS No: 27827-60-7 Catalog No: AG002UVH MDL No:
Product Description
Catalog Number:
AG002UVH
Chemical Name:
2H-1,5-Benzoxazocin-3-ol, 3,4-dihydro-6-(4-methylphenyl)-
CAS Number:
27827-60-7
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
IUPAC Name:
6-(4-methylphenyl)-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
InChI:
InChI=1S/C17H17NO2/c1-12-6-8-13(9-7-12)17-15-4-2-3-5-16(15)20-11-14(19)10-18-17/h2-9,14,19H,10-11H2,1H3
InChI Key:
IVUWKRONGZCNSP-UHFFFAOYSA-N
SMILES:
OC1CN=C(c2ccc(cc2)C)c2c(OC1)cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.328g/mol
Monoisotopic Mass:
267.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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