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20127-49-5 | 2H-Pyrrole, 3,4-dihydro-5-methyl-4-phenyl-
CAS No: 20127-49-5 Catalog No: AG002DAK MDL No:
Product Description
Catalog Number:
AG002DAK
Chemical Name:
2H-Pyrrole, 3,4-dihydro-5-methyl-4-phenyl-
CAS Number:
20127-49-5
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
5-methyl-4-phenyl-3,4-dihydro-2H-pyrrole
InChI:
InChI=1S/C11H13N/c1-9-11(7-8-12-9)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChI Key:
HJHHGNFTRQRAKS-UHFFFAOYSA-N
SMILES:
CC1=NCCC1c1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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