134176-20-8
(1ALPHA,6ALPHA,7ALPHA)-2-OXOBICYCLO[4.1.0]HEPTANE-7-CARBOXYLIC ACID METHYL ESTER
Name(1ALPHA,6ALPHA,7ALPHA)-2-OXOBICYCLO[4.1.0]HEPTANE-7-CARBOXYLIC ACID METHYL ESTER
1Identification
【Name】
(1ALPHA,6ALPHA,7ALPHA)-2-OXOBICYCLO[4.1.0]HEPTANE-7-CARBOXYLIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD16621071
【English Synonyms】
【Formula】
C9 H12 O3
【MolWeight】
168.191
【Inchi】
InChI=1S/C9H12O3/c1-12-9(11)8-5-3-2-4-6(10)7(5)8/h5,7-8H,2-4H2,1H3/t5-,7-,8+/m1/s1
【InChIKey】
InChIKey=CBQPOZUMQGMCPK-NJUXHZRNSA-N
【SMILES】
COC(=O)[C@H]1[C@H]2[C@@H]1C(=O)CCC2
【MOL File】
(1ALPHA,6ALPHA,7ALPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1ALPHA,6ALPHA,7ALPHA)-2-OXOBICYCLO[4.1.0]HEPTANE-7-CARBOXYLIC ACID METHYL ESTER.cml