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113729-10-5 | 1-Azabicyclo[3.1.0]hexane-5-carboxylic acid, methyl ester
CAS No: 113729-10-5 Catalog No: AG0009H6 MDL No:
Product Description
Catalog Number:
AG0009H6
Chemical Name:
1-Azabicyclo[3.1.0]hexane-5-carboxylic acid, methyl ester
CAS Number:
113729-10-5
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
IUPAC Name:
methyl 1-azabicyclo[3.1.0]hexane-5-carboxylate
InChI:
InChI=1S/C7H11NO2/c1-10-6(9)7-3-2-4-8(7)5-7/h2-5H2,1H3
InChI Key:
OLFYCPYATHONGW-UHFFFAOYSA-N
SMILES:
COC(=O)C12CCCN2C1
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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