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102502-64-7

102502-64-7 | Tricyclo[3.3.1.13,7]decane-1-acetic acid, α-amino-, hydrochloride (1:1), (αS)-

CAS No: 102502-64-7 Catalog No: AG0007L8 MDL No:

Product Description

Catalog Number:
AG0007L8
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-acetic acid, α-amino-, hydrochloride (1:1), (αS)-
CAS Number:
102502-64-7
Molecular Formula:
C12H20ClNO2
Molecular Weight:
245.7457
IUPAC Name:
(2S)-2-(1-adamantyl)-2-aminoacetic acid;hydrochloride
InChI:
InChI=1S/C12H19NO2.ClH/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12;/h7-10H,1-6,13H2,(H,14,15);1H/t7?,8?,9?,10-,12?;/m1./s1
InChI Key:
HEUUMSMIQNBXML-FQPTWHMSSA-N
SMILES:
N[C@@H](C12CC3CC(C2)CC(C1)C3)C(=O)O.Cl

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
245.118g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
245.747g/mol
Monoisotopic Mass:
245.118g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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