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Home > Other Building Blocks > 1002-33-1
1002-33-1 | 1,3-OCTADIENE
CAS No: 1002-33-1 Catalog No: AG00017K MDL No:
Product Description
Catalog Number:
AG00017K
Chemical Name:
1,3-OCTADIENE
CAS Number:
1002-33-1
Molecular Formula:
C8H14
Molecular Weight:
110.1968
IUPAC Name:
(3E)-octa-1,3-diene
InChI:
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7H,1,4,6,8H2,2H3/b7-5+
InChI Key:
QTYUSOHYEPOHLV-FNORWQNLSA-N
SMILES:
CCCCC=CC=C
UN Number:
2309
Properties
Complexity:
70.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
110.11g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.2g/mol
Monoisotopic Mass:
110.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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