Chelist Moleculee

cas:	19438-60-9
einecs:	243-072-0
smiles:	CC1CCC2C(C1)C(=O)OC2=O
name:	Hexahydro-4-methylphthalic anhydride
MW:	168.1898
formula:	C9H12O3
InChi:
InChiKey:
SMARTS:

Other names
Tetrahydro-4-methylphthalic anhydride
hexahydro-4-methylphthalic anhydride
Hexahydro-4-methylphthalic anhydride

Search by similarity

The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = N_A&B/(N_A+N_B-N_A&B) where N_A and N_B are the number of bits set in the bit strings of molecules A and B, respectively, N_A&B is the number of bits that are set in both.

Inventory List where this chemical is present

REACH SVHC (195): Candidate List of Substances of Very High Concern (Regulatory)
REACH PRS (143825): ECHA list of pre-registered substances (Regulatory)
REACH REG (19180): Reach Registrations (Regulatory)