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126202-26-4 | 3,5-Hexadienal, 4-methyl-, (E)- (9CI)
CAS No: 126202-26-4 Catalog No: AG000SD4 MDL No:
Product Description
Catalog Number:
AG000SD4
Chemical Name:
3,5-Hexadienal, 4-methyl-, (E)- (9CI)
CAS Number:
126202-26-4
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
IUPAC Name:
4-methylhexa-3,5-dienal
InChI:
InChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h3,5-6H,1,4H2,2H3
InChI Key:
UBNCSFPTYOCELD-UHFFFAOYSA-N
SMILES:
O=CC/C=C(/C=C)\C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.156g/mol
Monoisotopic Mass:
110.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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