50418-39-8
3-METHYL-BICYCLO[2.2.1]HEPTA-2,5-DIENE-2-CARBOXYLIC ACID
Name3-METHYL-BICYCLO[2.2.1]HEPTA-2,5-DIENE-2-CARBOXYLIC ACID
1Identification
【Name】
3-METHYL-BICYCLO[2.2.1]HEPTA-2,5-DIENE-2-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD18826791
【English Synonyms】
【Formula】
C9 H10 O2
【MolWeight】
150.176
【Inchi】
InChI=1S/C9H10O2/c1-5-6-2-3-7(4-6)8(5)9(10)11/h2-3,6-7H,4H2,1H3,(H,10,11)
【InChIKey】
InChIKey=ACSFOUMJIUHTCO-UHFFFAOYSA-N
【SMILES】
CC1=C(C2CC1C=C2)C(=O)O
【MOL File】
3-METHYL-BICYCLO[2.2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-BICYCLO[2.2.1]HEPTA-2,5-DIENE-2-CARBOXYLIC ACID.cml