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102450-66-8 | Heptanoic acid, 2-amino-3-ethyl-
CAS No: 102450-66-8 Catalog No: AG0007IL MDL No:
Product Description
Catalog Number:
AG0007IL
Chemical Name:
Heptanoic acid, 2-amino-3-ethyl-
CAS Number:
102450-66-8
Molecular Formula:
C9H19NO2
Molecular Weight:
173.2527
IUPAC Name:
2-amino-3-ethylheptanoic acid
InChI:
InChI=1S/C9H19NO2/c1-3-5-6-7(4-2)8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)
InChI Key:
HJZMJXCMBQBTIK-UHFFFAOYSA-N
SMILES:
CCCCC(C(C(=O)O)N)CC
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.142g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.256g/mol
Monoisotopic Mass:
173.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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