Home Other Building Blocks hexahydropentalen-2(1H)-one

hexahydropentalen-2(1H)-one

CAS No.:
56180-61-1
Catalog Number:
AG01BDBE
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
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Product Description
Catalog Number:
AG01BDBE
Chemical Name:
hexahydropentalen-2(1H)-one
CAS Number:
56180-61-1
Molecular Formula:
C8H12O
Molecular Weight:
124.1803
MDL Number:
MFCD00154251
IUPAC Name:
3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
InChI:
InChI=1S/C8H12O/c9-8-4-6-2-1-3-7(6)5-8/h6-7H,1-5H2
InChI Key:
ZOUYMLXOFDNVRK-UHFFFAOYSA-N
SMILES:
O=C1CC2C(C1)CCC2
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.089g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.183g/mol
Monoisotopic Mass:
124.089g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties