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71177-53-2 | Benzoic acid,4-hydroxy-, tetradecyl ester
CAS No: 71177-53-2 Catalog No: AG005KLD MDL No:
Product Description
Catalog Number:
AG005KLD
Chemical Name:
Benzoic acid,4-hydroxy-, tetradecyl ester
CAS Number:
71177-53-2
Molecular Formula:
C21H34O3
Molecular Weight:
334.4929
IUPAC Name:
tetradecyl 4-hydroxybenzoate
InChI:
InChI=1S/C21H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-21(23)19-14-16-20(22)17-15-19/h14-17,22H,2-13,18H2,1H3
InChI Key:
DATMKDBMEZKPLP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOC(=O)c1ccc(cc1)O
NSC Number:
309824
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.251g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.5g/mol
Monoisotopic Mass:
334.251g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
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