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100393-41-7 | 1-Naphthalenepropanoic acid, β-amino-
CAS No: 100393-41-7 Catalog No: AG0001V8 MDL No:MFCD00269725
Product Description
Catalog Number:
AG0001V8
Chemical Name:
1-Naphthalenepropanoic acid, β-amino-
CAS Number:
100393-41-7
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
MDL Number:
MFCD00269725
IUPAC Name:
3-amino-3-naphthalen-1-ylpropanoic acid
InChI:
InChI=1S/C13H13NO2/c14-12(8-13(15)16)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,14H2,(H,15,16)
InChI Key:
BIOQBKBTOAMMDG-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1cccc2c1cccc2)N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.252g/mol
Monoisotopic Mass:
215.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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