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82194-10-3 | 2H-Pyrrole, 3,4-dihydro-5-methyl-4-(phenylmethylene)-, (E)-
CAS No: 82194-10-3 Catalog No: AG0050GF MDL No:
Product Description
Catalog Number:
AG0050GF
Chemical Name:
2H-Pyrrole, 3,4-dihydro-5-methyl-4-(phenylmethylene)-, (E)-
CAS Number:
82194-10-3
Molecular Formula:
C12H13N
Molecular Weight:
171.2383
IUPAC Name:
4-benzylidene-5-methyl-2,3-dihydropyrrole
InChI:
InChI=1S/C12H13N/c1-10-12(7-8-13-10)9-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChI Key:
QDDAYRJNOVXRJG-UHFFFAOYSA-N
SMILES:
CC1=NCC/C/1=C\c1ccccc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.243g/mol
Monoisotopic Mass:
171.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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