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247133-24-0 | 2H-2-Benzazepine-2-carboxylic acid, 1,3,4,5-tetrahydro-8-hydroxy-, 1,1-dimethylethyl ester
CAS No: 247133-24-0 Catalog No: AG002P5U MDL No:
Product Description
Catalog Number:
AG002P5U
Chemical Name:
2H-2-Benzazepine-2-carboxylic acid, 1,3,4,5-tetrahydro-8-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
247133-24-0
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
IUPAC Name:
tert-butyl 8-hydroxy-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
InChI:
InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-8-4-5-11-6-7-13(17)9-12(11)10-16/h6-7,9,17H,4-5,8,10H2,1-3H3
InChI Key:
BFSMEUZIFDZIFM-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CN(CCC2)C(=O)OC(C)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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