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Home > Aldehydes > 1339499-04-5
1339499-04-5 | 1H,4H,5H,6H-cyclopenta[d]imidazole-2-carbaldehyde
CAS No: 1339499-04-5 Catalog No: AG01EMA1 MDL No:MFCD19608921
Product Description
Catalog Number:
AG01EMA1
Chemical Name:
1H,4H,5H,6H-cyclopenta[d]imidazole-2-carbaldehyde
CAS Number:
1339499-04-5
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD19608921
IUPAC Name:
1,4,5,6-tetrahydrocyclopenta[d]imidazole-2-carbaldehyde
InChI:
InChI=1S/C7H8N2O/c10-4-7-8-5-2-1-3-6(5)9-7/h4H,1-3H2,(H,8,9)
InChI Key:
LMLXQOYUVXQVLQ-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c2c(n1)CCC2
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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