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88647-07-8 | 1H-Pyrrole-2-octanoic acid, 5-hexyl-, methyl ester
CAS No: 88647-07-8 Catalog No: AG0049DL MDL No:
Product Description
Catalog Number:
AG0049DL
Chemical Name:
1H-Pyrrole-2-octanoic acid, 5-hexyl-, methyl ester
CAS Number:
88647-07-8
Molecular Formula:
C19H33NO2
Molecular Weight:
307.4708
IUPAC Name:
methyl 8-(5-hexyl-1H-pyrrol-2-yl)octanoate
InChI:
InChI=1S/C19H33NO2/c1-3-4-5-9-12-17-15-16-18(20-17)13-10-7-6-8-11-14-19(21)22-2/h15-16,20H,3-14H2,1-2H3
InChI Key:
ZXPLZMVAOQNBNU-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc([nH]1)CCCCCCCC(=O)OC
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.251g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.478g/mol
Monoisotopic Mass:
307.251g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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