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1389264-36-1 | 3-Azabicyclo[3.1.1]heptane-6-carboxylic acid, methyl ester, hydrochloride (1:1)
CAS No: 1389264-36-1 Catalog No: AG0019V7 MDL No:MFCD21647390
Product Description
Catalog Number:
AG0019V7
Chemical Name:
3-Azabicyclo[3.1.1]heptane-6-carboxylic acid, methyl ester, hydrochloride (1:1)
CAS Number:
1389264-36-1
Molecular Formula:
C8H14ClNO2
Molecular Weight:
191.6553
MDL Number:
MFCD21647390
IUPAC Name:
methyl 3-azabicyclo[3.1.1]heptane-6-carboxylate;hydrochloride
InChI:
InChI=1S/C8H13NO2.ClH/c1-11-8(10)7-5-2-6(7)4-9-3-5;/h5-7,9H,2-4H2,1H3;1H
InChI Key:
XIISKEZBOHDVDM-UHFFFAOYSA-N
SMILES:
COC(=O)C1C2CNCC1C2.Cl
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.655g/mol
Monoisotopic Mass:
191.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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