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43115-74-8 | 3-(1H-imidazol-1-yl)propanamide
CAS No: 43115-74-8 Catalog No: AG00J75I MDL No:MFCD02077567
Product Description
Catalog Number:
AG00J75I
Chemical Name:
3-(1H-imidazol-1-yl)propanamide
CAS Number:
43115-74-8
Molecular Formula:
C6H9N3O
Molecular Weight:
139.1552
MDL Number:
MFCD02077567
IUPAC Name:
3-imidazol-1-ylpropanamide
InChI:
InChI=1S/C6H9N3O/c7-6(10)1-3-9-4-2-8-5-9/h2,4-5H,1,3H2,(H2,7,10)
InChI Key:
VMQUSGWKCTXCRS-UHFFFAOYSA-N
SMILES:
NC(=O)CCn1cncc1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.075g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.158g/mol
Monoisotopic Mass:
139.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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