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187876-47-7 | Butanoic acid, 3-amino-, ethyl ester, hydrochloride (1:1), (3S)-
CAS No: 187876-47-7 Catalog No: AG002GJV MDL No:
Product Description
Catalog Number:
AG002GJV
Chemical Name:
Butanoic acid, 3-amino-, ethyl ester, hydrochloride (1:1), (3S)-
CAS Number:
187876-47-7
IUPAC Name:
ethyl (3S)-3-aminobutanoate;hydrochloride
InChI:
InChI=1S/C6H13NO2.ClH/c1-3-9-6(8)4-5(2)7;/h5H,3-4,7H2,1-2H3;1H/t5-;/m0./s1
InChI Key:
ISVBSAIYXBEVSI-JEDNCBNOSA-N
Properties
Complexity:
93.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
167.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.633g/mol
Monoisotopic Mass:
167.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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