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Home > Aldehydes > 791591-59-8
791591-59-8 | Benzaldehyde,4-(2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-
CAS No: 791591-59-8 Catalog No: AG005LML MDL No:
Product Description
Catalog Number:
AG005LML
Chemical Name:
Benzaldehyde,4-(2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-3-yl)-
CAS Number:
791591-59-8
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
IUPAC Name:
4-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)benzaldehyde
InChI:
InChI=1S/C15H19NO/c1-14(2)9-13(15(3,4)16-14)12-7-5-11(10-17)6-8-12/h5-10,16H,1-4H3
InChI Key:
KMPHQAGLGKOUII-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C1=CC(NC1(C)C)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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