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101415-87-6 | 2,4-Heptadienal, 6,6-dimethyl-, (2E,4E)-
CAS No: 101415-87-6 Catalog No: AG0004F8 MDL No:
Product Description
Catalog Number:
AG0004F8
Chemical Name:
2,4-Heptadienal, 6,6-dimethyl-, (2E,4E)-
CAS Number:
101415-87-6
Molecular Formula:
C9H14O
Molecular Weight:
138.2069
IUPAC Name:
6,6-dimethylhepta-2,4-dienal
InChI:
InChI=1S/C9H14O/c1-9(2,3)7-5-4-6-8-10/h4-8H,1-3H3
InChI Key:
YXVYKPSVFIZOKO-UHFFFAOYSA-N
SMILES:
O=C/C=C/C=C/C(C)(C)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.104g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.21g/mol
Monoisotopic Mass:
138.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.5
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