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10224-72-3 | 1,1-Cyclobutanedicarboxylic acid, 1,1-dimethyl ester
CAS No: 10224-72-3 Catalog No: AG00070B MDL No:MFCD00082719
Product Description
Catalog Number:
AG00070B
Chemical Name:
1,1-Cyclobutanedicarboxylic acid, 1,1-dimethyl ester
CAS Number:
10224-72-3
Molecular Formula:
C8H12O4
Molecular Weight:
172.1785
MDL Number:
MFCD00082719
IUPAC Name:
dimethyl cyclobutane-1,1-dicarboxylate
InChI:
InChI=1S/C8H12O4/c1-11-6(9)8(4-3-5-8)7(10)12-2/h3-5H2,1-2H3
InChI Key:
KIFHUHBBUBVJNH-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCC1)C(=O)OC
Properties
Complexity:
187
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:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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