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1000-30-2 | 4-Hexenal, 2,2,5-trimethyl-
CAS No: 1000-30-2 Catalog No: AG00007I MDL No:MFCD17014642
Product Description
Catalog Number:
AG00007I
Chemical Name:
4-Hexenal, 2,2,5-trimethyl-
CAS Number:
1000-30-2
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
MDL Number:
MFCD17014642
IUPAC Name:
2,2,5-trimethylhex-4-enal
InChI:
InChI=1S/C9H16O/c1-8(2)5-6-9(3,4)7-10/h5,7H,6H2,1-4H3
InChI Key:
TVJYZLLDEHOCJE-UHFFFAOYSA-N
SMILES:
O=CC(CC=C(C)C)(C)C
EC Number:
213-670-6
Properties
Complexity:
139
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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