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123387-52-0 | 1H-Azepine-1-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester
CAS No: 123387-52-0 Catalog No: AG000KHV MDL No:MFCD18252672
Product Description
Catalog Number:
AG000KHV
Chemical Name:
1H-Azepine-1-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester
CAS Number:
123387-52-0
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
MDL Number:
MFCD18252672
IUPAC Name:
tert-butyl azepane-1-carboxylate
InChI:
InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)12-8-6-4-5-7-9-12/h4-9H2,1-3H3
InChI Key:
QZBSPLNCSRGMBA-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCCC1)OC(C)(C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.294g/mol
Monoisotopic Mass:
199.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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