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30634-11-8 | Butanoic acid, 4-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-4-oxo-
CAS No: 30634-11-8 Catalog No: AG0030Q8 MDL No:
Product Description
Catalog Number:
AG0030Q8
Chemical Name:
Butanoic acid, 4-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino]-4-oxo-
CAS Number:
30634-11-8
Molecular Formula:
C8H15NO6
Molecular Weight:
221.2078
IUPAC Name:
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C8H15NO6/c10-3-8(4-11,5-12)9-6(13)1-2-7(14)15/h10-12H,1-5H2,(H,9,13)(H,14,15)
InChI Key:
AYOSHRPQQFVQTB-UHFFFAOYSA-N
SMILES:
OCC(NC(=O)CCC(=O)O)(CO)CO
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
221.209g/mol
Monoisotopic Mass:
221.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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