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13151-07-0 | 1,7-Octadiene, 2-methyl-
CAS No: 13151-07-0 Catalog No: AG000ZBG MDL No:
Product Description
Catalog Number:
AG000ZBG
Chemical Name:
1,7-Octadiene, 2-methyl-
CAS Number:
13151-07-0
Molecular Formula:
C9H16
Molecular Weight:
124.2233
IUPAC Name:
2-methylocta-1,7-diene
InChI:
InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h4H,1-2,5-8H2,3H3
InChI Key:
GRMXFZGBPICEAU-UHFFFAOYSA-N
SMILES:
C=CCCCCC(=C)C
Properties
Complexity:
90.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.125g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.227g/mol
Monoisotopic Mass:
124.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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