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20282-39-7 | 1H-Pyrrole, 2,5-dimethyl-1-propyl-
CAS No: 20282-39-7 Catalog No: AG0028GJ MDL No:MFCD04618252
Product Description
Catalog Number:
AG0028GJ
Chemical Name:
1H-Pyrrole, 2,5-dimethyl-1-propyl-
CAS Number:
20282-39-7
Molecular Formula:
C9H15N
Molecular Weight:
137.2221
MDL Number:
MFCD04618252
IUPAC Name:
2,5-dimethyl-1-propylpyrrole
InChI:
InChI=1S/C9H15N/c1-4-7-10-8(2)5-6-9(10)3/h5-6H,4,7H2,1-3H3
InChI Key:
CXSJSHHYPARDPV-UHFFFAOYSA-N
SMILES:
CCCn1c(C)ccc1C
Properties
Complexity:
90.9
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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