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1818847-75-4 | 3-Azabicyclo[3.1.1]heptane-3-carboxylic acid, 6-formyl-, 1,1-dimethylethyl ester
CAS No: 1818847-75-4 Catalog No: AG00236U MDL No:
Product Description
Catalog Number:
AG00236U
Chemical Name:
3-Azabicyclo[3.1.1]heptane-3-carboxylic acid, 6-formyl-, 1,1-dimethylethyl ester
CAS Number:
1818847-75-4
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
IUPAC Name:
tert-butyl 6-formyl-3-azabicyclo[3.1.1]heptane-3-carboxylate
InChI:
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-5-8-4-9(6-13)10(8)7-14/h7-10H,4-6H2,1-3H3
InChI Key:
PDACFFGDLNNNMM-UHFFFAOYSA-N
SMILES:
O=CC1C2CC1CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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