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88991-54-2 | Imidodicarbonic diamide, N-[4-(acetyloxy)phenyl]-
CAS No: 88991-54-2 Catalog No: AG00451S MDL No:
Product Description
Catalog Number:
AG00451S
Chemical Name:
Imidodicarbonic diamide, N-[4-(acetyloxy)phenyl]-
CAS Number:
88991-54-2
Molecular Formula:
C10H11N3O4
Molecular Weight:
237.2120
IUPAC Name:
[4-(carbamoylcarbamoylamino)phenyl] acetate
InChI:
InChI=1S/C10H11N3O4/c1-6(14)17-8-4-2-7(3-5-8)12-10(16)13-9(11)15/h2-5H,1H3,(H4,11,12,13,15,16)
InChI Key:
GPMQTPQFAWMEHX-UHFFFAOYSA-N
SMILES:
NC(=O)NC(=O)Nc1ccc(cc1)OC(=O)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
237.215g/mol
Monoisotopic Mass:
237.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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