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100535-50-0 | Heptanoic acid, 2-amino-3-butyl-
CAS No: 100535-50-0 Catalog No: AG00029W MDL No:
Product Description
Catalog Number:
AG00029W
Chemical Name:
Heptanoic acid, 2-amino-3-butyl-
CAS Number:
100535-50-0
Molecular Formula:
C11H23NO2
Molecular Weight:
201.3058
IUPAC Name:
2-amino-3-butylheptanoic acid
InChI:
InChI=1S/C11H23NO2/c1-3-5-7-9(8-6-4-2)10(12)11(13)14/h9-10H,3-8,12H2,1-2H3,(H,13,14)
InChI Key:
VIOBKVMIHOVLFN-UHFFFAOYSA-N
SMILES:
CCCCC(C(C(=O)O)N)CCCC
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.173g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.31g/mol
Monoisotopic Mass:
201.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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