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178172-34-4 | 1H-Azepine-1-carboxylic acid, hexahydro-2-hydroxy-, 1,1-dimethylethyl ester
CAS No: 178172-34-4 Catalog No: AG0025T5 MDL No:MFCD09031187
Product Description
Catalog Number:
AG0025T5
Chemical Name:
1H-Azepine-1-carboxylic acid, hexahydro-2-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
178172-34-4
Molecular Formula:
C11H21NO3
Molecular Weight:
215.2893
MDL Number:
MFCD09031187
IUPAC Name:
tert-butyl 2-hydroxyazepane-1-carboxylate
InChI:
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(12)13/h9,13H,4-8H2,1-3H3
InChI Key:
YUMNPYZNPVXWGB-UHFFFAOYSA-N
SMILES:
OC1CCCCCN1C(=O)OC(C)(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.152g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.293g/mol
Monoisotopic Mass:
215.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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