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49701-11-3 | 8-Chloro-2,3-dihydro-4H-1-benzopyran-4-one
CAS No: 49701-11-3 Catalog No: AG0037T7 MDL No:MFCD03695451
Product Description
Catalog Number:
AG0037T7
Chemical Name:
8-Chloro-2,3-dihydro-4H-1-benzopyran-4-one
CAS Number:
49701-11-3
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
MDL Number:
MFCD03695451
IUPAC Name:
8-chloro-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C9H7ClO2/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3H,4-5H2
InChI Key:
VWENHHJICDZGQB-UHFFFAOYSA-N
SMILES:
O=C1CCOc2c1cccc2Cl
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.603g/mol
Monoisotopic Mass:
182.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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