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16327-39-2 | Cyclobutene, 1,3,3-trimethyl-
CAS No: 16327-39-2 Catalog No: AG001TZ4 MDL No:
Product Description
Catalog Number:
AG001TZ4
Chemical Name:
Cyclobutene, 1,3,3-trimethyl-
CAS Number:
16327-39-2
Molecular Formula:
C7H12
Molecular Weight:
96.1702
IUPAC Name:
1,3,3-trimethylcyclobutene
InChI:
InChI=1S/C7H12/c1-6-4-7(2,3)5-6/h4H,5H2,1-3H3
InChI Key:
TUJODTKRRIKQDP-UHFFFAOYSA-N
SMILES:
CC1=CC(C1)(C)C
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.094g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.173g/mol
Monoisotopic Mass:
96.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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