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Home > Imidazoles > 947534-52-3
947534-52-3 | 1-ALLYL-1,3-DIHYDRO-IMIDAZOL-2-ONE
CAS No: 947534-52-3 Catalog No: AG006SBP MDL No:
Product Description
Catalog Number:
AG006SBP
Chemical Name:
1-ALLYL-1,3-DIHYDRO-IMIDAZOL-2-ONE
CAS Number:
947534-52-3
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
IUPAC Name:
3-prop-2-enyl-1H-imidazol-2-one
InChI:
InChI=1S/C6H8N2O/c1-2-4-8-5-3-7-6(8)9/h2-3,5H,1,4H2,(H,7,9)
InChI Key:
IFMYXEISCBSRJO-UHFFFAOYSA-N
SMILES:
C=CCn1cc[nH]c1=O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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