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20175-16-0 | Heptanal, 2-iodo-
CAS No: 20175-16-0 Catalog No: AG0027U0 MDL No:
Product Description
Catalog Number:
AG0027U0
Chemical Name:
Heptanal, 2-iodo-
CAS Number:
20175-16-0
Molecular Formula:
C7H13IO
Molecular Weight:
240.0820
IUPAC Name:
2-iodoheptanal
InChI:
InChI=1S/C7H13IO/c1-2-3-4-5-7(8)6-9/h6-7H,2-5H2,1H3
InChI Key:
SPLDIJRXWKDAGW-UHFFFAOYSA-N
SMILES:
CCCCCC(C=O)I
Properties
Complexity:
73.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.001g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.084g/mol
Monoisotopic Mass:
240.001g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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