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141232-86-2 | 2H-Pyran-5-carboxylic acid, methyl ester
CAS No: 141232-86-2 Catalog No: AG001G39 MDL No:
Product Description
Catalog Number:
AG001G39
Chemical Name:
2H-Pyran-5-carboxylic acid, methyl ester
CAS Number:
141232-86-2
Molecular Formula:
C7H8O3
Molecular Weight:
140.1366
IUPAC Name:
methyl 2H-pyran-5-carboxylate
InChI:
InChI=1S/C7H8O3/c1-9-7(8)6-3-2-4-10-5-6/h2-3,5H,4H2,1H3
InChI Key:
UDDFERKROOLSIR-UHFFFAOYSA-N
SMILES:
COC(=O)C1=COCC=C1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.047g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.138g/mol
Monoisotopic Mass:
140.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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