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779295-10-2 | 2-Naphthalenecarboxylicacid, 3-amino-1,2,3,5,6,7,8,8a-octahydro-
CAS No: 779295-10-2 Catalog No: AG005EG1 MDL No:
Product Description
Catalog Number:
AG005EG1
Chemical Name:
2-Naphthalenecarboxylicacid, 3-amino-1,2,3,5,6,7,8,8a-octahydro-
CAS Number:
779295-10-2
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
IUPAC Name:
3-amino-1,2,3,5,6,7,8,8a-octahydronaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H17NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h6-7,9-10H,1-5,12H2,(H,13,14)
InChI Key:
HZHBNTZILDILHM-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2CCCCC2=CC1N
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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