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Home > Other Heterocycles > 64997-95-1
64997-95-1 | Bicyclo[4.2.0]octa-1,3,5-triene, 2,3,5-trimethyl-4-(3-pentynyl)-
CAS No: 64997-95-1 Catalog No: AG00H6OX MDL No:
Product Description
Catalog Number:
AG00H6OX
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene, 2,3,5-trimethyl-4-(3-pentynyl)-
CAS Number:
64997-95-1
Molecular Formula:
C16H20
Molecular Weight:
212.3300
IUPAC Name:
2,3,5-trimethyl-4-pent-3-ynylbicyclo[4.2.0]octa-1(6),2,4-triene
InChI:
InChI=1S/C16H20/c1-5-6-7-8-14-11(2)12(3)15-9-10-16(15)13(14)4/h7-10H2,1-4H3
InChI Key:
SHDFWJDBJFJNOH-UHFFFAOYSA-N
SMILES:
CC#CCCc1c(C)c(C)c2c(c1C)CC2
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.336g/mol
Monoisotopic Mass:
212.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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