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Home Other Building Blocks 1-(3,4-dihydro-2H-1-benzopyran-6-yl)propan-1-one

1-(3,4-dihydro-2H-1-benzopyran-6-yl)propan-1-one

CAS No.:
70452-02-7
Catalog Number:
AG01A3O5
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
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Product Description
Catalog Number:
AG01A3O5
Chemical Name:
1-(3,4-dihydro-2H-1-benzopyran-6-yl)propan-1-one
CAS Number:
70452-02-7
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
MDL Number:
MFCD12823306
IUPAC Name:
1-(3,4-dihydro-2H-chromen-6-yl)propan-1-one
InChI:
InChI=1S/C12H14O2/c1-2-11(13)9-5-6-12-10(8-9)4-3-7-14-12/h5-6,8H,2-4,7H2,1H3
InChI Key:
JJMOQCDMQSGYJL-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc2c(c1)CCCO2
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties