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100186-31-0 | Acetic acid, 2-[hydroxy(1-methylethyl)amino]-2-oxo-, ethyl ester
CAS No: 100186-31-0 Catalog No: AG000161 MDL No:
Product Description
Catalog Number:
AG000161
Chemical Name:
Acetic acid, 2-[hydroxy(1-methylethyl)amino]-2-oxo-, ethyl ester
CAS Number:
100186-31-0
Molecular Formula:
C7H13NO4
Molecular Weight:
175.1824
IUPAC Name:
ethyl 2-[hydroxy(propan-2-yl)amino]-2-oxoacetate
InChI:
InChI=1S/C7H13NO4/c1-4-12-7(10)6(9)8(11)5(2)3/h5,11H,4H2,1-3H3
InChI Key:
CTJUHHIPYGUWOE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)N(C(C)C)O
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.184g/mol
Monoisotopic Mass:
175.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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