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122602-44-2 | Benzenebutanoic acid, γ-amino-, hydrochloride (1:1)
CAS No: 122602-44-2 Catalog No: AG0017IU MDL No:MFCD17977124
Product Description
Catalog Number:
AG0017IU
Chemical Name:
Benzenebutanoic acid, γ-amino-, hydrochloride (1:1)
CAS Number:
122602-44-2
Molecular Formula:
C10H14ClNO2
Molecular Weight:
215.6767
MDL Number:
MFCD17977124
IUPAC Name:
4-amino-4-phenylbutanoic acid;hydrochloride
InChI:
InChI=1S/C10H13NO2.ClH/c11-9(6-7-10(12)13)8-4-2-1-3-5-8;/h1-5,9H,6-7,11H2,(H,12,13);1H
InChI Key:
HWYVTLZMBWZXGN-UHFFFAOYSA-N
SMILES:
NC(c1ccccc1)CCC(=O)O.Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.677g/mol
Monoisotopic Mass:
215.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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