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2059940-74-6 | 2-(propan-2-yl)-1-propyl-1H-imidazole-5-carbaldehyde
CAS No: 2059940-74-6 Catalog No: AG01BW2S MDL No:MFCD30476721
Product Description
Catalog Number:
AG01BW2S
Chemical Name:
2-(propan-2-yl)-1-propyl-1H-imidazole-5-carbaldehyde
CAS Number:
2059940-74-6
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
MDL Number:
MFCD30476721
IUPAC Name:
2-propan-2-yl-3-propylimidazole-4-carbaldehyde
InChI:
InChI=1S/C10H16N2O/c1-4-5-12-9(7-13)6-11-10(12)8(2)3/h6-8H,4-5H2,1-3H3
InChI Key:
YQVAZRUBVXOAAD-UHFFFAOYSA-N
SMILES:
CCCn1c(C=O)cnc1C(C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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