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1230486-65-3 | 7-Azabicyclo[2.2.1]heptane-2-carboxylic acid, methyl ester
CAS No: 1230486-65-3 Catalog No: AG000K04 MDL No:MFCD21234556
Product Description
Catalog Number:
AG000K04
Chemical Name:
7-Azabicyclo[2.2.1]heptane-2-carboxylic acid, methyl ester
CAS Number:
1230486-65-3
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD21234556
IUPAC Name:
methyl 7-azabicyclo[2.2.1]heptane-2-carboxylate
InChI:
InChI=1S/C8H13NO2/c1-11-8(10)6-4-5-2-3-7(6)9-5/h5-7,9H,2-4H2,1H3
InChI Key:
DQASNVBNVNCIGT-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC2NC1CC2
Properties
Complexity:
181
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:
38.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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