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143995-55-5 | Acetic acid, 2-methoxy-2-[(methoxycarbonyl)amino]-, methyl ester
CAS No: 143995-55-5 Catalog No: AG001IQP MDL No:
Product Description
Catalog Number:
AG001IQP
Chemical Name:
Acetic acid, 2-methoxy-2-[(methoxycarbonyl)amino]-, methyl ester
CAS Number:
143995-55-5
Molecular Formula:
C6H11NO5
Molecular Weight:
177.1552
IUPAC Name:
methyl 2-methoxy-2-(methoxycarbonylamino)acetate
InChI:
InChI=1S/C6H11NO5/c1-10-4(5(8)11-2)7-6(9)12-3/h4H,1-3H3,(H,7,9)
InChI Key:
NITAEFBYXPKQDN-UHFFFAOYSA-N
SMILES:
COC(=O)NC(C(=O)OC)OC
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.156g/mol
Monoisotopic Mass:
177.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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