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199926-33-5 | Acetic acid, 2-hydroxy-2-[(1-oxo-2-propen-1-yl)amino]-, hydrate (1:1)
CAS No: 199926-33-5 Catalog No: AG002CGI MDL No:
Product Description
Catalog Number:
AG002CGI
Chemical Name:
Acetic acid, 2-hydroxy-2-[(1-oxo-2-propen-1-yl)amino]-, hydrate (1:1)
CAS Number:
199926-33-5
Molecular Formula:
C5H9NO5
Molecular Weight:
163.1287
IUPAC Name:
2-hydroxy-2-(prop-2-enoylamino)acetic acid;hydrate
InChI:
InChI=1S/C5H7NO4.H2O/c1-2-3(7)6-4(8)5(9)10;/h2,4,8H,1H2,(H,6,7)(H,9,10);1H2
InChI Key:
AVWMQWFKXNJQJQ-UHFFFAOYSA-N
SMILES:
OC(C(=O)O)NC(=O)C=C.O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
163.129g/mol
Monoisotopic Mass:
163.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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