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84971-98-2 | Carbamic acid, (3,4-diethoxy-5-methylphenyl)-, 1-cyclopentylethyl ester
CAS No: 84971-98-2 Catalog No: AG004QK3 MDL No:
Product Description
Catalog Number:
AG004QK3
Chemical Name:
Carbamic acid, (3,4-diethoxy-5-methylphenyl)-, 1-cyclopentylethyl ester
CAS Number:
84971-98-2
Molecular Formula:
C19H29NO4
Molecular Weight:
335.4379
IUPAC Name:
1-cyclopentylethyl N-(3,4-diethoxy-5-methylphenyl)carbamate
InChI:
InChI=1S/C19H29NO4/c1-5-22-17-12-16(11-13(3)18(17)23-6-2)20-19(21)24-14(4)15-9-7-8-10-15/h11-12,14-15H,5-10H2,1-4H3,(H,20,21)
InChI Key:
AVNZRCLKQIKNFA-UHFFFAOYSA-N
SMILES:
CCOc1cc(NC(=O)OC(C2CCCC2)C)cc(c1OCC)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.21g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.444g/mol
Monoisotopic Mass:
335.21g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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