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89531-67-9 | 4-amino-2,2-dimethyl-4-oxobutanoic acid
CAS No: 89531-67-9 Catalog No: AG0040KG MDL No:
Product Description
Catalog Number:
AG0040KG
Chemical Name:
4-amino-2,2-dimethyl-4-oxobutanoic acid
CAS Number:
89531-67-9
Molecular Formula:
C6H11NO3
Molecular Weight:
145.1564
IUPAC Name:
4-amino-2,2-dimethyl-4-oxobutanoic acid
InChI:
InChI=1S/C6H11NO3/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H2,7,8)(H,9,10)
InChI Key:
IBPSGJDBOYFNEM-UHFFFAOYSA-N
SMILES:
NC(=O)CC(C(=O)O)(C)C
NSC Number:
97172
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.158g/mol
Monoisotopic Mass:
145.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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