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1252672-38-0 | Bicyclo[2.2.1]heptane-1-carboxylic acid, 4-amino-, methyl ester
CAS No: 1252672-38-0 Catalog No: AG000NEK MDL No:MFCD23378922
Product Description
Catalog Number:
AG000NEK
Chemical Name:
Bicyclo[2.2.1]heptane-1-carboxylic acid, 4-amino-, methyl ester
CAS Number:
1252672-38-0
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD23378922
IUPAC Name:
methyl 4-aminobicyclo[2.2.1]heptane-1-carboxylate
InChI:
InChI=1S/C9H15NO2/c1-12-7(11)8-2-4-9(10,6-8)5-3-8/h2-6,10H2,1H3
InChI Key:
SLVBGSLDDDRHKZ-UHFFFAOYSA-N
SMILES:
COC(=O)C12CCC(C2)(CC1)N
Properties
Complexity:
217
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:
1
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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