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113679-72-4 | Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene-
CAS No: 113679-72-4 Catalog No: AG0009A8 MDL No:
Product Description
Catalog Number:
AG0009A8
Chemical Name:
Pentalene, 1,2,4,5,6,6a-hexahydro-2-methylene-
CAS Number:
113679-72-4
Molecular Formula:
C9H12
Molecular Weight:
120.1916
IUPAC Name:
5-methylidene-2,3,3a,4-tetrahydro-1H-pentalene
InChI:
InChI=1S/C9H12/c1-7-5-8-3-2-4-9(8)6-7/h5,9H,1-4,6H2
InChI Key:
YINKAIMUCNCXEA-UHFFFAOYSA-N
SMILES:
C=C1C=C2C(C1)CCC2
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.094g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.195g/mol
Monoisotopic Mass:
120.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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