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100119-45-7 | 2H-Pyran-4-carbonyl chloride, tetrahydro-4-phenyl-
CAS No: 100119-45-7 Catalog No: AG0000ZW MDL No:MFCD09903692
Product Description
Catalog Number:
AG0000ZW
Chemical Name:
2H-Pyran-4-carbonyl chloride, tetrahydro-4-phenyl-
CAS Number:
100119-45-7
Molecular Formula:
C12H13ClO2
Molecular Weight:
224.6834
MDL Number:
MFCD09903692
IUPAC Name:
4-phenyloxane-4-carbonyl chloride
InChI:
InChI=1S/C12H13ClO2/c13-11(14)12(6-8-15-9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChI Key:
MNCVQLSKZIVCDW-UHFFFAOYSA-N
SMILES:
ClC(=O)C1(CCOCC1)c1ccccc1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.684g/mol
Monoisotopic Mass:
224.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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