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892501-94-9 | 2H-Pyran,tetrahydro-4-(4-isocyanatophenoxy)-
CAS No: 892501-94-9 Catalog No: AG0043RM MDL No:MFCD09702366
Product Description
Catalog Number:
AG0043RM
Chemical Name:
2H-Pyran,tetrahydro-4-(4-isocyanatophenoxy)-
CAS Number:
892501-94-9
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD09702366
IUPAC Name:
4-(4-isocyanatophenoxy)oxane
InChI:
InChI=1S/C12H13NO3/c14-9-13-10-1-3-11(4-2-10)16-12-5-7-15-8-6-12/h1-4,12H,5-8H2
InChI Key:
ZGNHUEWFJQLPDN-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1)OC1CCOCC1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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