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95978-55-5 | 19-IODO-18-NONADECENOIC ACID
CAS No: 95978-55-5 Catalog No: AG006TQX MDL No:
Product Description
Catalog Number:
AG006TQX
Chemical Name:
19-IODO-18-NONADECENOIC ACID
CAS Number:
95978-55-5
Molecular Formula:
C19H35IO2
Molecular Weight:
422.3845
IUPAC Name:
19-iodononadec-18-enoic acid
InChI:
InChI=1S/C19H35IO2/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19(21)22/h16,18H,1-15,17H2,(H,21,22)
InChI Key:
FHHFTJDAFRXZSN-UHFFFAOYSA-N
SMILES:
IC=CCCCCCCCCCCCCCCCCC(=O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.168g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.391g/mol
Monoisotopic Mass:
422.168g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.7
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