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1005-12-5 | 1H-Pyrrole, 2,4-dimethyl-1-propyl-
CAS No: 1005-12-5 Catalog No: AG00025V MDL No:
Product Description
Catalog Number:
AG00025V
Chemical Name:
1H-Pyrrole, 2,4-dimethyl-1-propyl-
CAS Number:
1005-12-5
Molecular Formula:
C9H15N
Molecular Weight:
137.2221
IUPAC Name:
2,4-dimethyl-1-propylpyrrole
InChI:
InChI=1S/C9H15N/c1-4-5-10-7-8(2)6-9(10)3/h6-7H,4-5H2,1-3H3
InChI Key:
COTIBWFCOGJIHY-UHFFFAOYSA-N
SMILES:
CCCn1cc(cc1C)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.226g/mol
Monoisotopic Mass:
137.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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