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115880-49-4 | Butanoic acid, 3-amino-, ethyl ester, (3R)-
CAS No: 115880-49-4 Catalog No: AG000H1N MDL No:MFCD06797564
Product Description
Catalog Number:
AG000H1N
Chemical Name:
Butanoic acid, 3-amino-, ethyl ester, (3R)-
CAS Number:
115880-49-4
Molecular Formula:
C6H13NO2
Molecular Weight:
131.1729
MDL Number:
MFCD06797564
IUPAC Name:
ethyl (3R)-3-aminobutanoate
InChI:
InChI=1S/C6H13NO2/c1-3-9-6(8)4-5(2)7/h5H,3-4,7H2,1-2H3/t5-/m1/s1
InChI Key:
HHIOOBJZIASBFF-RXMQYKEDSA-N
SMILES:
CCOC(=O)C[C@H](N)C
Properties
Complexity:
93.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
131.095g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
131.175g/mol
Monoisotopic Mass:
131.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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