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18870-77-4 | 1H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-(1-methylethyl)-
CAS No: 18870-77-4 Catalog No: AG002H6T MDL No:MFCD06380317
Product Description
Catalog Number:
AG002H6T
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 2,5-dimethyl-1-(1-methylethyl)-
CAS Number:
18870-77-4
Molecular Formula:
C10H15NO
Molecular Weight:
165.2322
MDL Number:
MFCD06380317
IUPAC Name:
2,5-dimethyl-1-propan-2-ylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C10H15NO/c1-7(2)11-8(3)5-10(6-12)9(11)4/h5-7H,1-4H3
InChI Key:
UNLWGQOETWJJKI-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)C(C)C)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.236g/mol
Monoisotopic Mass:
165.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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