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187989-67-9 | Butanoic acid, 3-(acetylamino)-, ethyl ester, (3R)-
CAS No: 187989-67-9 Catalog No: AG002GLQ MDL No:
Product Description
Catalog Number:
AG002GLQ
Chemical Name:
Butanoic acid, 3-(acetylamino)-, ethyl ester, (3R)-
CAS Number:
187989-67-9
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
IUPAC Name:
ethyl (3R)-3-acetamidobutanoate
InChI:
InChI=1S/C8H15NO3/c1-4-12-8(11)5-6(2)9-7(3)10/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m1/s1
InChI Key:
JQGFASTXESCOHX-ZCFIWIBFSA-N
SMILES:
CCOC(=O)C[C@H](NC(=O)C)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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