Home Other Building Blocks 6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one

6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one

CAS No.:
29423-72-1
Catalog Number:
AG01BUYU
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
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Product Description
Catalog Number:
AG01BUYU
Chemical Name:
6-hydroxy-4,4-dimethyl-3,4-dihydro-2H-1-benzopyran-2-one
CAS Number:
29423-72-1
Molecular Formula:
C11H12O3
Molecular Weight:
192.2112
MDL Number:
MFCD24714851
IUPAC Name:
6-hydroxy-4,4-dimethyl-3H-chromen-2-one
InChI:
InChI=1S/C11H12O3/c1-11(2)6-10(13)14-9-4-3-7(12)5-8(9)11/h3-5,12H,6H2,1-2H3
InChI Key:
UKYURFSTLUGMPH-UHFFFAOYSA-N
SMILES:
O=C1Oc2ccc(cc2C(C1)(C)C)O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.214g/mol
Monoisotopic Mass:
192.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties