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18870-81-0 | 2,5-Dimethyl-1-phenethyl-1H-pyrrole-3-carbaldehyde
CAS No: 18870-81-0 Catalog No: AG01F945 MDL No:
Product Description
Catalog Number:
AG01F945
Chemical Name:
2,5-Dimethyl-1-phenethyl-1H-pyrrole-3-carbaldehyde
CAS Number:
18870-81-0
Molecular Formula:
C15H17NO
Molecular Weight:
227.3016
IUPAC Name:
2,5-dimethyl-1-(2-phenylethyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C15H17NO/c1-12-10-15(11-17)13(2)16(12)9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3
InChI Key:
XTBALTOVICAGLW-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)CCc1ccccc1)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.307g/mol
Monoisotopic Mass:
227.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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