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Home > Other Heterocycles > 1552-99-4
1552-99-4 | Bicyclo[3.1.0]hexa-1,3,5-triene
CAS No: 1552-99-4 Catalog No: AG001NPP MDL No:
Product Description
Catalog Number:
AG001NPP
Chemical Name:
Bicyclo[3.1.0]hexa-1,3,5-triene
CAS Number:
1552-99-4
Molecular Formula:
C6H4
Molecular Weight:
76.0960
IUPAC Name:
bicyclo[3.1.0]hexa-1(6),2,4-triene
InChI:
InChI=1S/C6H4/c1-2-5-4-6(5)3-1/h1-4H
InChI Key:
HUFDRQJZVCFXDB-UHFFFAOYSA-N
SMILES:
c1cc2c(c1)c2
Properties
Complexity:
58.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
76.031g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
76.098g/mol
Monoisotopic Mass:
76.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Structural insights from binding poses of CCR2 and CCR5 with clinically important antagonists: a combined in silico study. | PloS one 20120101 |
| Enantioselective aerobic oxidation of α-hydroxy-ketones catalyzed by oxidovanadium(V) methoxides bearing chiral, N-salicylidene-tert-butylglycinates. | Organic letters 20110107 |
| Sources of propylene glycol and glycol ethers in air at home. | International journal of environmental research and public health 20101201 |
| The structures of m-benzyne and tetrafluoro-m-benzyne. | The Journal of chemical physics 20050501 |
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