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1363383-36-1 | 3-Azabicyclo[3.1.1]heptane-3-carboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS No: 1363383-36-1 Catalog No: AG0011RH MDL No:MFCD21642060
Product Description
Catalog Number:
AG0011RH
Chemical Name:
3-Azabicyclo[3.1.1]heptane-3-carboxylic acid, 6-(hydroxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1363383-36-1
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD21642060
IUPAC Name:
tert-butyl 6-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-5-8-4-9(6-13)10(8)7-14/h8-10,14H,4-7H2,1-3H3
InChI Key:
XDTLBQKKUHTYLG-UHFFFAOYSA-N
SMILES:
OCC1C2CC1CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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