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156266-61-4 | 2-Cyclobuten-1-one, 3,4,4-trimethoxy-2-methyl-
CAS No: 156266-61-4 Catalog No: AG001ONH MDL No:
Product Description
Catalog Number:
AG001ONH
Chemical Name:
2-Cyclobuten-1-one, 3,4,4-trimethoxy-2-methyl-
CAS Number:
156266-61-4
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
IUPAC Name:
3,4,4-trimethoxy-2-methylcyclobut-2-en-1-one
InChI:
InChI=1S/C8H12O4/c1-5-6(9)8(11-3,12-4)7(5)10-2/h1-4H3
InChI Key:
MAUQDKOVVJAZDI-UHFFFAOYSA-N
SMILES:
COC1=C(C)C(=O)C1(OC)OC
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.18g/mol
Monoisotopic Mass:
172.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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