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139618-93-2 | 1-Azaspiro[2.4]heptane-2-carboxylic acid, methyl ester
CAS No: 139618-93-2 Catalog No: AG001BEA MDL No:
Product Description
Catalog Number:
AG001BEA
Chemical Name:
1-Azaspiro[2.4]heptane-2-carboxylic acid, methyl ester
CAS Number:
139618-93-2
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
methyl 1-azaspiro[2.4]heptane-2-carboxylate
InChI:
InChI=1S/C8H13NO2/c1-11-7(10)6-8(9-6)4-2-3-5-8/h6,9H,2-5H2,1H3
InChI Key:
DENDOHGUXUFTTL-UHFFFAOYSA-N
SMILES:
COC(=O)C1NC21CCCC2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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