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116673-95-1 | 2H-Pyrrole, 3,4-dihydro-3,3-dimethyl-5-(phenylmethyl)-
CAS No: 116673-95-1 Catalog No: AG000CZ9 MDL No:MFCD13185972
Product Description
Catalog Number:
AG000CZ9
Chemical Name:
2H-Pyrrole, 3,4-dihydro-3,3-dimethyl-5-(phenylmethyl)-
CAS Number:
116673-95-1
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
MDL Number:
MFCD13185972
IUPAC Name:
5-benzyl-3,3-dimethyl-2,4-dihydropyrrole
InChI:
InChI=1S/C13H17N/c1-13(2)9-12(14-10-13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChI Key:
IDLOIKCKXBJPPI-UHFFFAOYSA-N
SMILES:
CC1(C)CN=C(C1)Cc1ccccc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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