Home Other Building Blocks 3-acetyl-3,4-dihydro-1H-2-benzopyran-1-one

3-acetyl-3,4-dihydro-1H-2-benzopyran-1-one

CAS No.:
632300-84-6
Catalog Number:
AG019K36
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
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Product Description
Catalog Number:
AG019K36
Chemical Name:
3-acetyl-3,4-dihydro-1H-2-benzopyran-1-one
CAS Number:
632300-84-6
Molecular Formula:
C11H10O3
Molecular Weight:
190.1953
MDL Number:
MFCD03765627
IUPAC Name:
3-acetyl-3,4-dihydroisochromen-1-one
InChI:
InChI=1S/C11H10O3/c1-7(12)10-6-8-4-2-3-5-9(8)11(13)14-10/h2-5,10H,6H2,1H3
InChI Key:
QFIHNJBMJDMZNM-UHFFFAOYSA-N
SMILES:
CC(=O)C1OC(=O)c2c(C1)cccc2
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.063g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.198g/mol
Monoisotopic Mass:
190.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties