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1276055-44-7 | Hexanoic acid, 3-amino-5-methyl-, hydrochloride (1:1), (3R)-
CAS No: 1276055-44-7 Catalog No: AG000X7B MDL No:MFCD06202393
Product Description
Catalog Number:
AG000X7B
Chemical Name:
Hexanoic acid, 3-amino-5-methyl-, hydrochloride (1:1), (3R)-
CAS Number:
1276055-44-7
Molecular Formula:
C7H16ClNO2
Molecular Weight:
181.6604
MDL Number:
MFCD06202393
IUPAC Name:
(3R)-3-amino-5-methylhexanoic acid;hydrochloride
InChI:
InChI=1S/C7H15NO2.ClH/c1-5(2)3-6(8)4-7(9)10;/h5-6H,3-4,8H2,1-2H3,(H,9,10);1H/t6-;/m1./s1
InChI Key:
NXVYPYHWONGEFQ-FYZOBXCZSA-N
SMILES:
CC(C[C@H](CC(=O)O)N)C.Cl
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
181.087g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
181.66g/mol
Monoisotopic Mass:
181.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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