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827028-15-9 | Benzoic acid, 4-(1-nonynyl)-, propyl ester
CAS No: 827028-15-9 Catalog No: AG004WE5 MDL No:
Product Description
Catalog Number:
AG004WE5
Chemical Name:
Benzoic acid, 4-(1-nonynyl)-, propyl ester
CAS Number:
827028-15-9
Molecular Formula:
C19H26O2
Molecular Weight:
286.4085
IUPAC Name:
propyl 4-non-1-ynylbenzoate
InChI:
InChI=1S/C19H26O2/c1-3-5-6-7-8-9-10-11-17-12-14-18(15-13-17)19(20)21-16-4-2/h12-15H,3-9,16H2,1-2H3
InChI Key:
SQMLVQXNOGKGKR-UHFFFAOYSA-N
SMILES:
CCCCCCCC#Cc1ccc(cc1)C(=O)OCCC
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.193g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.415g/mol
Monoisotopic Mass:
286.193g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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