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119102-24-8 | 1-Azabicyclo[2.2.1]heptane-4-carboxylic acid, ethyl ester
CAS No: 119102-24-8 Catalog No: AG000I74 MDL No:
Product Description
Catalog Number:
AG000I74
Chemical Name:
1-Azabicyclo[2.2.1]heptane-4-carboxylic acid, ethyl ester
CAS Number:
119102-24-8
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
ethyl 1-azabicyclo[2.2.1]heptane-4-carboxylate
InChI:
InChI=1S/C9H15NO2/c1-2-12-8(11)9-3-5-10(7-9)6-4-9/h2-7H2,1H3
InChI Key:
CPHZSWAWMNOQJI-UHFFFAOYSA-N
SMILES:
CCOC(=O)C12CCN(C2)CC1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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