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15872-46-5 | Benzoic acid, 4-(tetradecyloxy)-
CAS No: 15872-46-5 Catalog No: AG001QT6 MDL No:
Product Description
Catalog Number:
AG001QT6
Chemical Name:
Benzoic acid, 4-(tetradecyloxy)-
CAS Number:
15872-46-5
Molecular Formula:
C21H34O3
Molecular Weight:
334.4929
IUPAC Name:
4-tetradecoxybenzoic acid
InChI:
InChI=1S/C21H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-24-20-16-14-19(15-17-20)21(22)23/h14-17H,2-13,18H2,1H3,(H,22,23)
InChI Key:
BMQJZPIGHPAOAT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCOc1ccc(cc1)C(=O)O
NSC Number:
151187
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:
8.2
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