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87219-18-9 | 2-(2-chloroethylcarbamoylamino)acetic acid
CAS No: 87219-18-9 Catalog No: AG004RPV MDL No:
Product Description
Catalog Number:
AG004RPV
Chemical Name:
2-(2-chloroethylcarbamoylamino)acetic acid
CAS Number:
87219-18-9
Molecular Formula:
C5H9ClN2O3
Molecular Weight:
180.5896
IUPAC Name:
2-(2-chloroethylcarbamoylamino)acetic acid
InChI:
InChI=1S/C5H9ClN2O3/c6-1-2-7-5(11)8-3-4(9)10/h1-3H2,(H,9,10)(H2,7,8,11)
InChI Key:
CEDUJPWCSLBKJL-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)NCC(=O)O
NSC Number:
164701
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.588g/mol
Monoisotopic Mass:
180.03g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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