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92596-42-4

92596-42-4 | 1-(3,4-DIMETHYL-PHENYL)-2,5-DIMETHYL-1H-PYRROLE

CAS No: 92596-42-4 Catalog No: AG006G2S MDL No:MFCD00839340

Product Description

Catalog Number:
AG006G2S
Chemical Name:
1-(3,4-DIMETHYL-PHENYL)-2,5-DIMETHYL-1H-PYRROLE
CAS Number:
92596-42-4
Molecular Formula:
C14H17N
Molecular Weight:
199.2915
MDL Number:
MFCD00839340
IUPAC Name:
1-(3,4-dimethylphenyl)-2,5-dimethylpyrrole
InChI:
InChI=1S/C14H17N/c1-10-5-8-14(9-11(10)2)15-12(3)6-7-13(15)4/h5-9H,1-4H3
InChI Key:
QSXYGOZVXATBIK-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1C)n1c(C)ccc1C

Properties

Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.136g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.297g/mol
Monoisotopic Mass:
199.136g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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