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1012067-93-4 | Benzoic acid, 2-amino-5-[(7-ethoxy-7-oxoheptyl)oxy]-4-methoxy-, ethyl ester
CAS No: 1012067-93-4 Catalog No: AG0003YV MDL No:MFCD16877548
Product Description
Catalog Number:
AG0003YV
Chemical Name:
Benzoic acid, 2-amino-5-[(7-ethoxy-7-oxoheptyl)oxy]-4-methoxy-, ethyl ester
CAS Number:
1012067-93-4
Molecular Formula:
C19H29NO6
Molecular Weight:
367.4367
MDL Number:
MFCD16877548
IUPAC Name:
ethyl 2-amino-5-(7-ethoxy-7-oxoheptoxy)-4-methoxybenzoate
InChI:
InChI=1S/C19H29NO6/c1-4-24-18(21)10-8-6-7-9-11-26-17-12-14(19(22)25-5-2)15(20)13-16(17)23-3/h12-13H,4-11,20H2,1-3H3
InChI Key:
TZALXVPCJMHBGP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCOc1cc(C(=O)OCC)c(cc1OC)N
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.199g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.442g/mol
Monoisotopic Mass:
367.199g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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