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Home > Aldehydes > 923716-19-2
923716-19-2 | 2,5-dimethyl-1-[3-(methylsulfanyl)phenyl]-1H-pyrrole-3-carbaldehyde
CAS No: 923716-19-2 Catalog No: AG019PZU MDL No:MFCD08444898
Product Description
Catalog Number:
AG019PZU
Chemical Name:
2,5-dimethyl-1-[3-(methylsulfanyl)phenyl]-1H-pyrrole-3-carbaldehyde
CAS Number:
923716-19-2
Molecular Formula:
C14H15NOS
Molecular Weight:
245.3400
MDL Number:
MFCD08444898
IUPAC Name:
2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C14H15NOS/c1-10-7-12(9-16)11(2)15(10)13-5-4-6-14(8-13)17-3/h4-9H,1-3H3
InChI Key:
JWVSAYKXOKYWFR-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)n1c(C)cc(c1C)C=O
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.34g/mol
Monoisotopic Mass:
245.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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