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115822-58-7 | 2H-1-Benzopyran-3-carbonyl chloride, 3,4-dihydro-
CAS No: 115822-58-7 Catalog No: AG000GWP MDL No:
Product Description
Catalog Number:
AG000GWP
Chemical Name:
2H-1-Benzopyran-3-carbonyl chloride, 3,4-dihydro-
CAS Number:
115822-58-7
Molecular Formula:
C10H9ClO2
Molecular Weight:
196.6303
IUPAC Name:
3,4-dihydro-2H-chromene-3-carbonyl chloride
InChI:
InChI=1S/C10H9ClO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8H,5-6H2
InChI Key:
ISYMIZHFYTWMAQ-UHFFFAOYSA-N
SMILES:
ClC(=O)C1COc2c(C1)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.63g/mol
Monoisotopic Mass:
196.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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