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2045-74-1 | 2H-Pyrrole, 3,4-dihydro-4,4-dimethyl-5-phenyl-
CAS No: 2045-74-1 Catalog No: AG0029JD MDL No:
Product Description
Catalog Number:
AG0029JD
Chemical Name:
2H-Pyrrole, 3,4-dihydro-4,4-dimethyl-5-phenyl-
CAS Number:
2045-74-1
Molecular Formula:
C12H15N
Molecular Weight:
173.2542
IUPAC Name:
4,4-dimethyl-5-phenyl-2,3-dihydropyrrole
InChI:
InChI=1S/C12H15N/c1-12(2)8-9-13-11(12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChI Key:
GXGQFPJCAQAUMT-UHFFFAOYSA-N
SMILES:
CC1(C)CCN=C1c1ccccc1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.12g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.259g/mol
Monoisotopic Mass:
173.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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