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160310-68-9 | Heptanal, 3-methyl-2-propyl-
CAS No: 160310-68-9 Catalog No: AG001RTW MDL No:
Product Description
Catalog Number:
AG001RTW
Chemical Name:
Heptanal, 3-methyl-2-propyl-
CAS Number:
160310-68-9
Molecular Formula:
C11H22O
Molecular Weight:
170.2918
IUPAC Name:
3-methyl-2-propylheptanal
InChI:
InChI=1S/C11H22O/c1-4-6-8-10(3)11(9-12)7-5-2/h9-11H,4-8H2,1-3H3
InChI Key:
YCKRJPHVIHLJAQ-UHFFFAOYSA-N
SMILES:
CCCCC(C(CCC)C=O)C
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.167g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.296g/mol
Monoisotopic Mass:
170.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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