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21021-55-6 | Benzoic acid, 4-dodecyl-
CAS No: 21021-55-6 Catalog No: AG002KNC MDL No:
Product Description
Catalog Number:
AG002KNC
Chemical Name:
Benzoic acid, 4-dodecyl-
CAS Number:
21021-55-6
Molecular Formula:
C19H30O2
Molecular Weight:
290.4403
IUPAC Name:
4-dodecylbenzoic acid
InChI:
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)19(20)21/h13-16H,2-12H2,1H3,(H,20,21)
InChI Key:
JCHCIOJFCCQEKZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(cc1)C(=O)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.225g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.447g/mol
Monoisotopic Mass:
290.225g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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