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2059974-82-0 | 1,2-bis(propan-2-yl)-1H-imidazole-5-carbaldehyde
CAS No: 2059974-82-0 Catalog No: AG01BW2U MDL No:MFCD30476723
Product Description
Catalog Number:
AG01BW2U
Chemical Name:
1,2-bis(propan-2-yl)-1H-imidazole-5-carbaldehyde
CAS Number:
2059974-82-0
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
MDL Number:
MFCD30476723
IUPAC Name:
2,3-di(propan-2-yl)imidazole-4-carbaldehyde
InChI:
InChI=1S/C10H16N2O/c1-7(2)10-11-5-9(6-13)12(10)8(3)4/h5-8H,1-4H3
InChI Key:
MVDOTEFIYWHJKK-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(n1C(C)C)C(C)C
Properties
Complexity:
180
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:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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