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1260805-95-5 | 1-Naphthaleneacetic acid, 4-amino-5,6,7,8-tetrahydro-
CAS No: 1260805-95-5 Catalog No: AG000RC1 MDL No:
Product Description
Catalog Number:
AG000RC1
Chemical Name:
1-Naphthaleneacetic acid, 4-amino-5,6,7,8-tetrahydro-
CAS Number:
1260805-95-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
2-(4-amino-5,6,7,8-tetrahydronaphthalen-1-yl)acetic acid
InChI:
InChI=1S/C12H15NO2/c13-11-6-5-8(7-12(14)15)9-3-1-2-4-10(9)11/h5-6H,1-4,7,13H2,(H,14,15)
InChI Key:
JHSRRVDWUDPNIR-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c2c1CCCC2)N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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