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100393-37-1 | 1-Naphthaleneacetic acid, α-(aminomethyl)-
CAS No: 100393-37-1 Catalog No: AG0001V9 MDL No:
Product Description
Catalog Number:
AG0001V9
Chemical Name:
1-Naphthaleneacetic acid, α-(aminomethyl)-
CAS Number:
100393-37-1
Molecular Formula:
C13H13NO2
Molecular Weight:
215.2478
IUPAC Name:
3-amino-2-naphthalen-1-ylpropanoic acid
InChI:
InChI=1S/C13H13NO2/c14-8-12(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:
ZWJNCOMXRFGWCT-UHFFFAOYSA-N
SMILES:
NCC(c1cccc2c1cccc2)C(=O)O
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:
-0.6
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