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10031-88-6 | 2-Heptenal, 2-ethyl-
CAS No: 10031-88-6 Catalog No: AG0001KX MDL No:
Product Description
Catalog Number:
AG0001KX
Chemical Name:
2-Heptenal, 2-ethyl-
CAS Number:
10031-88-6
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
(E)-2-ethylhept-2-enal
InChI:
InChI=1S/C9H16O/c1-3-5-6-7-9(4-2)8-10/h7-8H,3-6H2,1-2H3/b9-7+
InChI Key:
RKQKOUYEJBHOFR-VQHVLOKHSA-N
SMILES:
CCCCC=C(C=O)CC
EC Number:
600-061-9
UNII:
02V559K729
FEMA Number:
2438
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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