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88088-76-0 | Dodecanoyl chloride, 2,2-dimethyl-12-(phenylmethoxy)-
CAS No: 88088-76-0 Catalog No: AG004H37 MDL No:
Product Description
Catalog Number:
AG004H37
Chemical Name:
Dodecanoyl chloride, 2,2-dimethyl-12-(phenylmethoxy)-
CAS Number:
88088-76-0
Molecular Formula:
C21H33ClO2
Molecular Weight:
352.9385
IUPAC Name:
2,2-dimethyl-12-phenylmethoxydodecanoyl chloride
InChI:
InChI=1S/C21H33ClO2/c1-21(2,20(22)23)16-12-7-5-3-4-6-8-13-17-24-18-19-14-10-9-11-15-19/h9-11,14-15H,3-8,12-13,16-18H2,1-2H3
InChI Key:
AGBBHXJUMPNJAZ-UHFFFAOYSA-N
SMILES:
ClC(=O)C(CCCCCCCCCCOCc1ccccc1)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.217g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.943g/mol
Monoisotopic Mass:
352.217g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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