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119402-83-4 | Benzoic acid, 2,4-dihydroxy-, nonyl ester
CAS No: 119402-83-4 Catalog No: AG000IQE MDL No:
Product Description
Catalog Number:
AG000IQE
Chemical Name:
Benzoic acid, 2,4-dihydroxy-, nonyl ester
CAS Number:
119402-83-4
Molecular Formula:
C16H24O4
Molecular Weight:
280.3594
IUPAC Name:
nonyl 2,4-dihydroxybenzoate
InChI:
InChI=1S/C16H24O4/c1-2-3-4-5-6-7-8-11-20-16(19)14-10-9-13(17)12-15(14)18/h9-10,12,17-18H,2-8,11H2,1H3
InChI Key:
LNRLGCPAMTXNRJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)c1ccc(cc1O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.167g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.364g/mol
Monoisotopic Mass:
280.167g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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