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27608-03-3 | Heptanal, 3-methyl-
CAS No: 27608-03-3 Catalog No: AG002U7J MDL No:MFCD17014643
Product Description
Catalog Number:
AG002U7J
Chemical Name:
Heptanal, 3-methyl-
CAS Number:
27608-03-3
Molecular Formula:
C8H16O
Molecular Weight:
128.2120
MDL Number:
MFCD17014643
IUPAC Name:
3-methylheptanal
InChI:
InChI=1S/C8H16O/c1-3-4-5-8(2)6-7-9/h7-8H,3-6H2,1-2H3
InChI Key:
KKFRYFDYAVLCHJ-UHFFFAOYSA-N
SMILES:
CCCCC(CC=O)C
EC Number:
248-568-0
Properties
Complexity:
69
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.215g/mol
Monoisotopic Mass:
128.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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