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74101-33-0 | 2H-Pyrrol-4-ol, 3,4-dihydro-2,2-dimethyl-4,5-diphenyl-, 1-oxide
CAS No: 74101-33-0 Catalog No: AG005HHL MDL No:
Product Description
Catalog Number:
AG005HHL
Chemical Name:
2H-Pyrrol-4-ol, 3,4-dihydro-2,2-dimethyl-4,5-diphenyl-, 1-oxide
CAS Number:
74101-33-0
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
IUPAC Name:
2,2-dimethyl-1-oxido-4,5-diphenyl-3H-pyrrol-1-ium-4-ol
InChI:
InChI=1S/C18H19NO2/c1-17(2)13-18(20,15-11-7-4-8-12-15)16(19(17)21)14-9-5-3-6-10-14/h3-12,20H,13H2,1-2H3
InChI Key:
OJVJRAADTRVSGW-UHFFFAOYSA-N
SMILES:
[O-][N+]1=C(c2ccccc2)C(CC1(C)C)(O)c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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