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13753-03-2

13753-03-2 | 1,4-Pentadiene, 3-methylene-

CAS No: 13753-03-2 Catalog No: AG0013I3 MDL No:

Product Description

Catalog Number:
AG0013I3
Chemical Name:
1,4-Pentadiene, 3-methylene-
CAS Number:
13753-03-2
Molecular Formula:
C6H8
Molecular Weight:
80.1277
IUPAC Name:
3-methylidenepenta-1,4-diene
InChI:
InChI=1S/C6H8/c1-4-6(3)5-2/h4-5H,1-3H2
InChI Key:
VXBVLYQDVVHAHZ-UHFFFAOYSA-N
SMILES:
C=CC(=C)C=C

Properties

Complexity:
68  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
80.063g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
80.13g/mol
Monoisotopic Mass:
80.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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