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75145-98-1 | 1H-Pyrrole, 3-methyl-2-(1-methylethyl)-
CAS No: 75145-98-1 Catalog No: AG00565I MDL No:
Product Description
Catalog Number:
AG00565I
Chemical Name:
1H-Pyrrole, 3-methyl-2-(1-methylethyl)-
CAS Number:
75145-98-1
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
IUPAC Name:
3-methyl-2-propan-2-yl-1H-pyrrole
InChI:
InChI=1S/C8H13N/c1-6(2)8-7(3)4-5-9-8/h4-6,9H,1-3H3
InChI Key:
CQDMZZGWCIYVNH-UHFFFAOYSA-N
SMILES:
CC(c1[nH]ccc1C)C
Properties
Complexity:
88.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.105g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.199g/mol
Monoisotopic Mass:
123.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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