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1245645-93-5 | Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 4-amino-, hydrochloride (1:1)
CAS No: 1245645-93-5 Catalog No: AG000MAG MDL No:MFCD18071519
Product Description
Catalog Number:
AG000MAG
Chemical Name:
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 4-amino-, hydrochloride (1:1)
CAS Number:
1245645-93-5
Molecular Formula:
C11H18ClNO2
Molecular Weight:
231.7191
MDL Number:
MFCD18071519
IUPAC Name:
4-aminoadamantane-1-carboxylic acid;hydrochloride
InChI:
InChI=1S/C11H17NO2.ClH/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;/h6-9H,1-5,12H2,(H,13,14);1H
InChI Key:
PYPMBCTWOYDNBV-UHFFFAOYSA-N
SMILES:
NC1C2CC3CC1CC(C2)(C3)C(=O)O.Cl
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.103g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
231.72g/mol
Monoisotopic Mass:
231.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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