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130312-00-4 | Acetic acid, 2-(tetrahydro-4H-pyran-4-ylidene)-, ethyl ester
CAS No: 130312-00-4 Catalog No: AG000UA9 MDL No:MFCD09475810
Product Description
Catalog Number:
AG000UA9
Chemical Name:
Acetic acid, 2-(tetrahydro-4H-pyran-4-ylidene)-, ethyl ester
CAS Number:
130312-00-4
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD09475810
IUPAC Name:
ethyl 2-(oxan-4-ylidene)acetate
InChI:
InChI=1S/C9H14O3/c1-2-12-9(10)7-8-3-5-11-6-4-8/h7H,2-6H2,1H3
InChI Key:
HMRYLZJIPRVVCW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C1CCOCC1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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