Home Other Building Blocks octahydro-1H-2-benzopyran-6-one

octahydro-1H-2-benzopyran-6-one

CAS No.:
1520976-21-9
Catalog Number:
AG01BJID
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
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Product Description
Catalog Number:
AG01BJID
Chemical Name:
octahydro-1H-2-benzopyran-6-one
CAS Number:
1520976-21-9
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD24735775
IUPAC Name:
1,3,4,4a,5,7,8,8a-octahydroisochromen-6-one
InChI:
InChI=1S/C9H14O2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h7-8H,1-6H2
InChI Key:
HIQCTGKUEAWDON-UHFFFAOYSA-N
SMILES:
O=C1CCC2C(C1)CCOC2
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties