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121269-37-2 | Benzenedodecanoic acid, 3-iodo-
CAS No: 121269-37-2 Catalog No: AG00771H MDL No:
Product Description
Catalog Number:
AG00771H
Chemical Name:
Benzenedodecanoic acid, 3-iodo-
CAS Number:
121269-37-2
Molecular Formula:
C18H27IO2
Molecular Weight:
402.3103
IUPAC Name:
12-(3-iodophenyl)dodecanoic acid
InChI:
InChI=1S/C18H27IO2/c19-17-13-10-12-16(15-17)11-8-6-4-2-1-3-5-7-9-14-18(20)21/h10,12-13,15H,1-9,11,14H2,(H,20,21)
InChI Key:
OEYYESYFOAZJAO-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCCc1cccc(c1)I
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.316g/mol
Monoisotopic Mass:
402.106g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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