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188716-78-1 | 1H-Pyrrole-2-methanol, 4-methyl-3-phenyl-
CAS No: 188716-78-1 Catalog No: AG002H78 MDL No:
Product Description
Catalog Number:
AG002H78
Chemical Name:
1H-Pyrrole-2-methanol, 4-methyl-3-phenyl-
CAS Number:
188716-78-1
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
IUPAC Name:
(4-methyl-3-phenyl-1H-pyrrol-2-yl)methanol
InChI:
InChI=1S/C12H13NO/c1-9-7-13-11(8-14)12(9)10-5-3-2-4-6-10/h2-7,13-14H,8H2,1H3
InChI Key:
XZHYTNYABPYEPQ-UHFFFAOYSA-N
SMILES:
OCc1[nH]cc(c1c1ccccc1)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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