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10467-31-9 | 2-acetamido-3-(1H-imidazol-4-yl)propanamide
CAS No: 10467-31-9 Catalog No: AG01A5XP MDL No:MFCD20671462
Product Description
Catalog Number:
AG01A5XP
Chemical Name:
2-acetamido-3-(1H-imidazol-4-yl)propanamide
CAS Number:
10467-31-9
Molecular Formula:
C8H12N4O2
Molecular Weight:
196.2065
MDL Number:
MFCD20671462
IUPAC Name:
2-acetamido-3-(1H-imidazol-5-yl)propanamide
InChI:
InChI=1S/C8H12N4O2/c1-5(13)12-7(8(9)14)2-6-3-10-4-11-6/h3-4,7H,2H2,1H3,(H2,9,14)(H,10,11)(H,12,13)
InChI Key:
JEJJSUSQDDAEKQ-UHFFFAOYSA-N
SMILES:
CC(=O)NC(C(=O)N)Cc1c[nH]cn1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.21g/mol
Monoisotopic Mass:
196.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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