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156002-64-1 | 2H-Pyran-4-acetic acid, tetrahydro-, methyl ester
CAS No: 156002-64-1 Catalog No: AG001OGI MDL No:MFCD09972087
Product Description
Catalog Number:
AG001OGI
Chemical Name:
2H-Pyran-4-acetic acid, tetrahydro-, methyl ester
CAS Number:
156002-64-1
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
MDL Number:
MFCD09972087
IUPAC Name:
methyl 2-(oxan-4-yl)acetate
InChI:
InChI=1S/C8H14O3/c1-10-8(9)6-7-2-4-11-5-3-7/h7H,2-6H2,1H3
InChI Key:
AQZRATSFTMXYLW-UHFFFAOYSA-N
SMILES:
COC(=O)CC1CCOCC1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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