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102586-98-1 | 1H-Pyrrole, 4-methyl-2-[(4-methyl-3-propyl-1H-pyrrol-2-yl)methyl]-3-propyl-
CAS No: 102586-98-1 Catalog No: AG0007UG MDL No:
Product Description
Catalog Number:
AG0007UG
Chemical Name:
1H-Pyrrole, 4-methyl-2-[(4-methyl-3-propyl-1H-pyrrol-2-yl)methyl]-3-propyl-
CAS Number:
102586-98-1
Molecular Formula:
C17H26N2
Molecular Weight:
258.4017
IUPAC Name:
4-methyl-2-[(4-methyl-3-propyl-1H-pyrrol-2-yl)methyl]-3-propyl-1H-pyrrole
InChI:
InChI=1S/C17H26N2/c1-5-7-14-12(3)10-18-16(14)9-17-15(8-6-2)13(4)11-19-17/h10-11,18-19H,5-9H2,1-4H3
InChI Key:
SGACQDFYZKJLDC-UHFFFAOYSA-N
SMILES:
CCCc1c(C)c[nH]c1Cc1[nH]cc(c1CCC)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.21g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.409g/mol
Monoisotopic Mass:
258.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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