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139243-55-3 | Butanoic acid, 3-amino-, methyl ester, hydrochloride (1:1), (3S)-
CAS No: 139243-55-3 Catalog No: AG001AK3 MDL No:MFCD12068617
Product Description
Catalog Number:
AG001AK3
Chemical Name:
Butanoic acid, 3-amino-, methyl ester, hydrochloride (1:1), (3S)-
CAS Number:
139243-55-3
Molecular Formula:
C5H12ClNO2
Molecular Weight:
153.6073
MDL Number:
MFCD12068617
IUPAC Name:
methyl (3S)-3-aminobutanoate;hydrochloride
InChI:
InChI=1S/C5H11NO2.ClH/c1-4(6)3-5(7)8-2;/h4H,3,6H2,1-2H3;1H/t4-;/m0./s1
InChI Key:
YNRQJTGGWNTZLJ-WCCKRBBISA-N
SMILES:
COC(=O)C[C@@H](N)C.Cl
Properties
Complexity:
82.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
153.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.606g/mol
Monoisotopic Mass:
153.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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