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100482-29-9 | Benzoic acid, 4-[[(diethylamino)carbonyl]oxy]-3,5-dipropyl-, ethyl ester
CAS No: 100482-29-9 Catalog No: AG00022R MDL No:
Product Description
Catalog Number:
AG00022R
Chemical Name:
Benzoic acid, 4-[[(diethylamino)carbonyl]oxy]-3,5-dipropyl-, ethyl ester
CAS Number:
100482-29-9
Molecular Formula:
C20H31NO4
Molecular Weight:
349.4644
IUPAC Name:
ethyl 4-(diethylcarbamoyloxy)-3,5-dipropylbenzoate
InChI:
InChI=1S/C20H31NO4/c1-6-11-15-13-17(19(22)24-10-5)14-16(12-7-2)18(15)25-20(23)21(8-3)9-4/h13-14H,6-12H2,1-5H3
InChI Key:
PCNNKDOJZBGEEW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(CCC)c(c(c1)CCC)OC(=O)N(CC)CC
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.225g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.471g/mol
Monoisotopic Mass:
349.225g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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