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207405-60-5 | 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-hydroxy-, 1,1-dimethylethyl ester
CAS No: 207405-60-5 Catalog No: AG002J0W MDL No:MFCD11865204
Product Description
Catalog Number:
AG002J0W
Chemical Name:
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
207405-60-5
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
MDL Number:
MFCD11865204
IUPAC Name:
tert-butyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
InChI:
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)5-9(7)13/h7-9,13H,4-6H2,1-3H3
InChI Key:
HDPGSWMTDGGUEB-UHFFFAOYSA-N
SMILES:
OC1CC2CC1CN2C(=O)OC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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