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827573-93-3 | 2-Propenoic acid, 3-[1-(iodomethyl)cyclohexyl]-, phenylmethyl ester
CAS No: 827573-93-3 Catalog No: AG004Z1P MDL No:
Product Description
Catalog Number:
AG004Z1P
Chemical Name:
2-Propenoic acid, 3-[1-(iodomethyl)cyclohexyl]-, phenylmethyl ester
CAS Number:
827573-93-3
Molecular Formula:
C17H21IO2
Molecular Weight:
384.2519
IUPAC Name:
benzyl 3-[1-(iodomethyl)cyclohexyl]prop-2-enoate
InChI:
InChI=1S/C17H21IO2/c18-14-17(10-5-2-6-11-17)12-9-16(19)20-13-15-7-3-1-4-8-15/h1,3-4,7-9,12H,2,5-6,10-11,13-14H2
InChI Key:
CKHJFBNYAWLUQE-UHFFFAOYSA-N
SMILES:
ICC1(CCCCC1)C=CC(=O)OCc1ccccc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.257g/mol
Monoisotopic Mass:
384.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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