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100703-25-1 | Pentalene, 1,3a,4,6a-tetrahydro-3a,6a-dimethyl-, cis- (9CI)
CAS No: 100703-25-1 Catalog No: AG0002NV MDL No:
Product Description
Catalog Number:
AG0002NV
Chemical Name:
Pentalene, 1,3a,4,6a-tetrahydro-3a,6a-dimethyl-, cis- (9CI)
CAS Number:
100703-25-1
Molecular Formula:
C10H14
Molecular Weight:
134.2182
IUPAC Name:
3a,6a-dimethyl-1,4-dihydropentalene
InChI:
InChI=1S/C10H14/c1-9-5-3-7-10(9,2)8-4-6-9/h3-5,8H,6-7H2,1-2H3
InChI Key:
HJRMFRRQOMWWFB-UHFFFAOYSA-N
SMILES:
C[C@]12CC=C[C@]2(C)CC=C1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.11g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.222g/mol
Monoisotopic Mass:
134.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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