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1006-26-4 | 1H-Pyrrole-2-carboxaldehyde, 3,4-diethyl-
CAS No: 1006-26-4 Catalog No: AG0002G5 MDL No:
Product Description
Catalog Number:
AG0002G5
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 3,4-diethyl-
CAS Number:
1006-26-4
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
IUPAC Name:
3,4-diethyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C9H13NO/c1-3-7-5-10-9(6-11)8(7)4-2/h5-6,10H,3-4H2,1-2H3
InChI Key:
AUYWSUQOZBWQFZ-UHFFFAOYSA-N
SMILES:
CCc1c(C=O)[nH]cc1CC
NSC Number:
620163
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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