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Home > Other Building Blocks > 1002-35-3
1002-35-3 | 1,3,7-Octatriene
CAS No: 1002-35-3 Catalog No: AG00017I MDL No:
Product Description
Catalog Number:
AG00017I
Chemical Name:
1,3,7-Octatriene
CAS Number:
1002-35-3
Molecular Formula:
C8H12
Molecular Weight:
108.1809
IUPAC Name:
(3E)-octa-1,3,7-triene
InChI:
InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-5,7H,1-2,6,8H2/b7-5+
InChI Key:
ZTJHDEXGCKAXRZ-FNORWQNLSA-N
SMILES:
C=CCCC=CC=C
EC Number:
213-686-3
Properties
Complexity:
88.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
108.094g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.184g/mol
Monoisotopic Mass:
108.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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