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88056-88-6 | 4-Hexenal, 3-propyl-, (E)-
CAS No: 88056-88-6 Catalog No: AG004IHH MDL No:
Product Description
Catalog Number:
AG004IHH
Chemical Name:
4-Hexenal, 3-propyl-, (E)-
CAS Number:
88056-88-6
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
3-propylhex-4-enal
InChI:
InChI=1S/C9H16O/c1-3-5-9(6-4-2)7-8-10/h3,5,8-9H,4,6-7H2,1-2H3
InChI Key:
XCNYPKJCHZSRFQ-UHFFFAOYSA-N
SMILES:
CCCC(/C=C/C)CC=O
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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