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81852-82-6 | 1H-Pyrrole, 2-(2,2-dimethyl-1-methylenepropyl)-1-methyl-
CAS No: 81852-82-6 Catalog No: AG005094 MDL No:
Product Description
Catalog Number:
AG005094
Chemical Name:
1H-Pyrrole, 2-(2,2-dimethyl-1-methylenepropyl)-1-methyl-
CAS Number:
81852-82-6
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
IUPAC Name:
2-(3,3-dimethylbut-1-en-2-yl)-1-methylpyrrole
InChI:
InChI=1S/C11H17N/c1-9(11(2,3)4)10-7-6-8-12(10)5/h6-8H,1H2,2-5H3
InChI Key:
PYEOLZRPFYTUAX-UHFFFAOYSA-N
SMILES:
Cn1cccc1C(=C)C(C)(C)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.264g/mol
Monoisotopic Mass:
163.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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