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64356-72-5 | Acetic acid, 2-hydroxy-2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS No: 64356-72-5 Catalog No: AG000WYU MDL No:
Product Description
Catalog Number:
AG000WYU
Chemical Name:
Acetic acid, 2-hydroxy-2-[[(phenylmethoxy)carbonyl]amino]-, methyl ester
CAS Number:
64356-72-5
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
IUPAC Name:
methyl 2-hydroxy-2-(phenylmethoxycarbonylamino)acetate
InChI:
InChI=1S/C11H13NO5/c1-16-10(14)9(13)12-11(15)17-7-8-5-3-2-4-6-8/h2-6,9,13H,7H2,1H3,(H,12,15)
InChI Key:
GFINBRVQJRNUHU-UHFFFAOYSA-N
SMILES:
COC(=O)C(NC(=O)OCc1ccccc1)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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