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89228-19-3 | Carbamic acid, [4-methyl-2-(3-oxopentyl)phenyl]-, phenylmethyl ester
CAS No: 89228-19-3 Catalog No: AG0042YZ MDL No:
Product Description
Catalog Number:
AG0042YZ
Chemical Name:
Carbamic acid, [4-methyl-2-(3-oxopentyl)phenyl]-, phenylmethyl ester
CAS Number:
89228-19-3
Molecular Formula:
C20H23NO3
Molecular Weight:
325.4015
IUPAC Name:
benzyl N-[4-methyl-2-(3-oxopentyl)phenyl]carbamate
InChI:
InChI=1S/C20H23NO3/c1-3-18(22)11-10-17-13-15(2)9-12-19(17)21-20(23)24-14-16-7-5-4-6-8-16/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,21,23)
InChI Key:
SQWQYRGXCSDVSM-UHFFFAOYSA-N
SMILES:
CCC(=O)CCc1cc(C)ccc1NC(=O)OCc1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.408g/mol
Monoisotopic Mass:
325.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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