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98021-79-5 | 3-Bromotetrahydropyran-4-one
CAS No: 98021-79-5 Catalog No: AG003J5A MDL No:MFCD13193743
Product Description
Catalog Number:
AG003J5A
Chemical Name:
3-Bromotetrahydropyran-4-one
CAS Number:
98021-79-5
Molecular Formula:
C5H7BrO2
Molecular Weight:
179.0119
MDL Number:
MFCD13193743
IUPAC Name:
3-bromooxan-4-one
InChI:
InChI=1S/C5H7BrO2/c6-4-3-8-2-1-5(4)7/h4H,1-3H2
InChI Key:
ZGULSQDBOSMIBZ-UHFFFAOYSA-N
SMILES:
O=C1CCOCC1Br
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.963g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.013g/mol
Monoisotopic Mass:
177.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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