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1024038-72-9 | 3-Azabicyclo[3.1.0]hexane-6-carboxylic acid, methyl ester, (1α,5α,6α)-
CAS No: 1024038-72-9 Catalog No: AG0007DK MDL No:MFCD19160626
Product Description
Catalog Number:
AG0007DK
Chemical Name:
3-Azabicyclo[3.1.0]hexane-6-carboxylic acid, methyl ester, (1α,5α,6α)-
CAS Number:
1024038-72-9
Molecular Formula:
C7H12ClNO2
Molecular Weight:
177.6287
MDL Number:
MFCD19160626
IUPAC Name:
methyl (1S,5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate;hydrochloride
InChI:
InChI=1S/C7H11NO2.ClH/c1-10-7(9)6-4-2-8-3-5(4)6;/h4-6,8H,2-3H2,1H3;1H/t4-,5+,6?;
InChI Key:
FINRNZAMIJPDPU-FTEHNKOGSA-N
SMILES:
COC(=O)[C@@H]1[C@@H]2[C@H]1CNC2.Cl
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
177.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.628g/mol
Monoisotopic Mass:
177.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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