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126926-42-9 | Benzoic acid, 3-[(dipropylamino)carbonyl]-, methyl ester
CAS No: 126926-42-9 Catalog No: AG000THL MDL No:
Product Description
Catalog Number:
AG000THL
Chemical Name:
Benzoic acid, 3-[(dipropylamino)carbonyl]-, methyl ester
CAS Number:
126926-42-9
Molecular Formula:
C15H21NO3
Molecular Weight:
263.3321
IUPAC Name:
methyl 3-(dipropylcarbamoyl)benzoate
InChI:
InChI=1S/C15H21NO3/c1-4-9-16(10-5-2)14(17)12-7-6-8-13(11-12)15(18)19-3/h6-8,11H,4-5,9-10H2,1-3H3
InChI Key:
ANRXZTNRUXAXQP-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)c1cccc(c1)C(=O)OC)CCC
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.337g/mol
Monoisotopic Mass:
263.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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