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168628-97-5 | 2-Naphthalenecarboxylic acid, 2-amino-1,2,3,4-tetrahydro-8-hydroxy-
CAS No: 168628-97-5 Catalog No: AG001Y7L MDL No:
Product Description
Catalog Number:
AG001Y7L
Chemical Name:
2-Naphthalenecarboxylic acid, 2-amino-1,2,3,4-tetrahydro-8-hydroxy-
CAS Number:
168628-97-5
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
IUPAC Name:
2-amino-8-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H13NO3/c12-11(10(14)15)5-4-7-2-1-3-9(13)8(7)6-11/h1-3,13H,4-6,12H2,(H,14,15)
InChI Key:
MIZUUMRXJDZBJU-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1CC(N)(CC2)C(=O)O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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