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88788-25-4 | 1H-Pyrrole-2-nonanoic acid, 5-hexyl-3-methyl-, methyl ester
CAS No: 88788-25-4 Catalog No: AG004B5X MDL No:
Product Description
Catalog Number:
AG004B5X
Chemical Name:
1H-Pyrrole-2-nonanoic acid, 5-hexyl-3-methyl-, methyl ester
CAS Number:
88788-25-4
Molecular Formula:
C21H37NO2
Molecular Weight:
335.5240
IUPAC Name:
methyl 9-(5-hexyl-3-methyl-1H-pyrrol-2-yl)nonanoate
InChI:
InChI=1S/C21H37NO2/c1-4-5-6-11-14-19-17-18(2)20(22-19)15-12-9-7-8-10-13-16-21(23)24-3/h17,22H,4-16H2,1-3H3
InChI Key:
GHCVXRZTQVWFMQ-UHFFFAOYSA-N
SMILES:
CCCCCCc1[nH]c(c(c1)C)CCCCCCCCC(=O)OC
Properties
Complexity:
319
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:
15
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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