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79794-88-0 | Benzeneacetic acid, 4-(dodecyloxy)-
CAS No: 79794-88-0 Catalog No: AG00569H MDL No:
Product Description
Catalog Number:
AG00569H
Chemical Name:
Benzeneacetic acid, 4-(dodecyloxy)-
CAS Number:
79794-88-0
Molecular Formula:
C20H32O3
Molecular Weight:
320.4663
IUPAC Name:
2-(4-dodecoxyphenyl)acetic acid
InChI:
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-16-23-19-14-12-18(13-15-19)17-20(21)22/h12-15H,2-11,16-17H2,1H3,(H,21,22)
InChI Key:
HQAAQSKXONDGQH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)CC(=O)O
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.235g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.473g/mol
Monoisotopic Mass:
320.235g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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