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10083-99-5 | Benzoic acid, 4-(acetyl-4-penten-1-ylamino)-, ethyl ester
CAS No: 10083-99-5 Catalog No: AG0002ZE MDL No:
Product Description
Catalog Number:
AG0002ZE
Chemical Name:
Benzoic acid, 4-(acetyl-4-penten-1-ylamino)-, ethyl ester
CAS Number:
10083-99-5
Molecular Formula:
C16H21NO3
Molecular Weight:
275.3428
IUPAC Name:
ethyl 4-[acetyl(pent-4-enyl)amino]benzoate
InChI:
InChI=1S/C16H21NO3/c1-4-6-7-12-17(13(3)18)15-10-8-14(9-11-15)16(19)20-5-2/h4,8-11H,1,5-7,12H2,2-3H3
InChI Key:
OJVUUDPXIFKNON-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N(C(=O)C)CCCC=C
NSC Number:
89802
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.152g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.348g/mol
Monoisotopic Mass:
275.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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