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113747-60-7 | Cyclobutene, 3-(1,1-dimethylethyl)-3-methoxy-
CAS No: 113747-60-7 Catalog No: AG0009JB MDL No:
Product Description
Catalog Number:
AG0009JB
Chemical Name:
Cyclobutene, 3-(1,1-dimethylethyl)-3-methoxy-
CAS Number:
113747-60-7
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
3-tert-butyl-3-methoxycyclobutene
InChI:
InChI=1S/C9H16O/c1-8(2,3)9(10-4)6-5-7-9/h5-6H,7H2,1-4H3
InChI Key:
VSKZHTKMOFHJLY-UHFFFAOYSA-N
SMILES:
COC1(CC=C1)C(C)(C)C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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