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1002-57-9 | Octanoic acid, 8-amino-
CAS No: 1002-57-9 Catalog No: AG00018A MDL No:MFCD00008245
Product Description
Catalog Number:
AG00018A
Chemical Name:
Octanoic acid, 8-amino-
CAS Number:
1002-57-9
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
MDL Number:
MFCD00008245
IUPAC Name:
8-aminooctanoic acid
InChI:
InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)
InChI Key:
UQXNEWQGGVUVQA-UHFFFAOYSA-N
SMILES:
NCCCCCCCC(=O)O
EC Number:
213-687-9
NSC Number:
59019
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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