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26180-47-2 | Benzoic acid, m-(2-methyl-5-phenylpyrrol-1-yl)-, compd. with 2-amino-2-methyl-1-propanol (1:1) (8CI)
CAS No: 26180-47-2 Catalog No: AG002S3P MDL No:
Product Description
Catalog Number:
AG002S3P
Chemical Name:
Benzoic acid, m-(2-methyl-5-phenylpyrrol-1-yl)-, compd. with 2-amino-2-methyl-1-propanol (1:1) (8CI)
CAS Number:
26180-47-2
IUPAC Name:
2-amino-2-methylpropan-1-ol;3-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
InChI:
InChI=1S/C18H15NO2.C4H11NO/c1-13-10-11-17(14-6-3-2-4-7-14)19(13)16-9-5-8-15(12-16)18(20)21;1-4(2,5)3-6/h2-12H,1H3,(H,20,21);6H,3,5H2,1-2H3
InChI Key:
ULWFVKKBMIGTRL-UHFFFAOYSA-N
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.194g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
366.461g/mol
Monoisotopic Mass:
366.194g/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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