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83568-11-0 | Ethyl 3,4-dihydro-2H-pyran-2-carboxylate
CAS No: 83568-11-0 Catalog No: AG0057JS MDL No:MFCD06204669
Product Description
Catalog Number:
AG0057JS
Chemical Name:
Ethyl 3,4-dihydro-2H-pyran-2-carboxylate
CAS Number:
83568-11-0
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD06204669
IUPAC Name:
ethyl 3,4-dihydro-2H-pyran-2-carboxylate
InChI:
InChI=1S/C8H12O3/c1-2-10-8(9)7-5-3-4-6-11-7/h4,6-7H,2-3,5H2,1H3
InChI Key:
HXBSUCZDAYLJDO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC=CO1
NSC Number:
40815
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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