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141232-83-9 | 2-Cyclobutene-1,1-dicarboxylic acid, 1-methyl ester
CAS No: 141232-83-9 Catalog No: AG001G3A MDL No:
Product Description
Catalog Number:
AG001G3A
Chemical Name:
2-Cyclobutene-1,1-dicarboxylic acid, 1-methyl ester
CAS Number:
141232-83-9
Molecular Formula:
C7H7O4-
Molecular Weight:
155.1281
IUPAC Name:
1-methoxycarbonylcyclobut-2-ene-1-carboxylate
InChI:
InChI=1S/C7H8O4/c1-11-6(10)7(5(8)9)3-2-4-7/h2-3H,4H2,1H3,(H,8,9)/p-1
InChI Key:
OIGXTZBYMZVFPT-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C1(CC=C1)C(=O)OC
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.034g/mol
Formal Charge:
-1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.129g/mol
Monoisotopic Mass:
155.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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