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30342-62-2 | Propanoic acid, 3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]-
CAS No: 30342-62-2 Catalog No: AG002ZSW MDL No:
Product Description
Catalog Number:
AG002ZSW
Chemical Name:
Propanoic acid, 3-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]-
CAS Number:
30342-62-2
Molecular Formula:
C25H48N2O3
Molecular Weight:
424.6602
IUPAC Name:
3-[2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethoxy]propanoic acid
InChI:
InChI=1S/C25H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-20-27(24)21-23-30-22-18-25(28)29/h2-23H2,1H3,(H,28,29)
InChI Key:
AYCJBRAHGLZCEK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC1=NCCN1CCOCCC(=O)O
EC Number:
250-135-6
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.366g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.67g/mol
Monoisotopic Mass:
424.366g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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