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149777-00-4 | 4H-Pyran-4,4-dicarboxylic acid, tetrahydro-, 4,4-dimethyl ester
CAS No: 149777-00-4 Catalog No: AG001M0B MDL No:MFCD02093499
Product Description
Catalog Number:
AG001M0B
Chemical Name:
4H-Pyran-4,4-dicarboxylic acid, tetrahydro-, 4,4-dimethyl ester
CAS Number:
149777-00-4
Molecular Formula:
C9H14O5
Molecular Weight:
202.2045
MDL Number:
MFCD02093499
IUPAC Name:
dimethyl oxane-4,4-dicarboxylate
InChI:
InChI=1S/C9H14O5/c1-12-7(10)9(8(11)13-2)3-5-14-6-4-9/h3-6H2,1-2H3
InChI Key:
OTIZXJJKKRZQJR-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCOCC1)C(=O)OC
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.206g/mol
Monoisotopic Mass:
202.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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