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26180-43-8 | Benzoic acid, 3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)-, compd. with 2-aminoethanol (1:1)
CAS No: 26180-43-8 Catalog No: AG002S3Q MDL No:
Product Description
Catalog Number:
AG002S3Q
Chemical Name:
Benzoic acid, 3-(2-methyl-5-phenyl-1H-pyrrol-1-yl)-, compd. with 2-aminoethanol (1:1)
CAS Number:
26180-43-8
Molecular Formula:
C20H22N2O3
Molecular Weight:
338.4003
IUPAC Name:
2-aminoethanol;3-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
InChI:
InChI=1S/C18H15NO2.C2H7NO/c1-13-10-11-17(14-6-3-2-4-7-14)19(13)16-9-5-8-15(12-16)18(20)21;3-1-2-4/h2-12H,1H3,(H,20,21);4H,1-3H2
InChI Key:
FXPWMBYTHFNJKX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)n1c(C)ccc1c1ccccc1.OCCN
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
338.407g/mol
Monoisotopic Mass:
338.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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