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122546-98-9 | 2H-Pyrrol-4-ol, 3,4-dihydro-2,2-dimethyl-5-phenyl-
CAS No: 122546-98-9 Catalog No: AG0017FG MDL No:
Product Description
Catalog Number:
AG0017FG
Chemical Name:
2H-Pyrrol-4-ol, 3,4-dihydro-2,2-dimethyl-5-phenyl-
CAS Number:
122546-98-9
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
5,5-dimethyl-2-phenyl-3,4-dihydropyrrol-3-ol
InChI:
InChI=1S/C12H15NO/c1-12(2)8-10(14)11(13-12)9-6-4-3-5-7-9/h3-7,10,14H,8H2,1-2H3
InChI Key:
UHLTUGDMVQOVAR-UHFFFAOYSA-N
SMILES:
OC1CC(N=C1c1ccccc1)(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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