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127754-15-8 | 1H-Pyrrole-3-carboxylic acid, 1-hexadecyl-
CAS No: 127754-15-8 Catalog No: AG000XDM MDL No:
Product Description
Catalog Number:
AG000XDM
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 1-hexadecyl-
CAS Number:
127754-15-8
Molecular Formula:
C21H37NO2
Molecular Weight:
335.5240
IUPAC Name:
1-hexadecylpyrrole-3-carboxylic acid
InChI:
InChI=1S/C21H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-18-16-20(19-22)21(23)24/h16,18-19H,2-15,17H2,1H3,(H,23,24)
InChI Key:
OUBUOYZCCFZXLK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCn1ccc(c1)C(=O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.282g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.532g/mol
Monoisotopic Mass:
335.282g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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