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Home > Other Building Blocks > 16134-69-3
16134-69-3 | 4-Hexenal, 2-methyl-, (E)- (8CI,9CI)
CAS No: 16134-69-3 Catalog No: AG001SE4 MDL No:
Product Description
Catalog Number:
AG001SE4
Chemical Name:
4-Hexenal, 2-methyl-, (E)- (8CI,9CI)
CAS Number:
16134-69-3
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
IUPAC Name:
2-methylhex-4-enal
InChI:
InChI=1S/C7H12O/c1-3-4-5-7(2)6-8/h3-4,6-7H,5H2,1-2H3
InChI Key:
QGHYUPCCGBNRMU-UHFFFAOYSA-N
SMILES:
C/C=C/CC(C=O)C
Properties
Complexity:
84.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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