575465-35-9
BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID, 2-METHYL-, (1R,2S,4R)-
NameBICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID, 2-METHYL-, (1R,2S,4R)-
1Identification
【Name】
BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID, 2-METHYL-, (1R,2S,4R)-
【CAS】
【MDL】
MFCD18828919
【English Synonyms】
【Formula】
C9 H12 O2
【MolWeight】
152.192
【Inchi】
InChI=1S/C9H12O2/c1-9(8(10)11)5-6-2-3-7(9)4-6/h2-3,6-7H,4-5H2,1H3,(H,10,11)/t6-,7+,9+/m1/s1
【InChIKey】
InChIKey=JIHFJSOMLKXSSQ-FJXKBIBVSA-N
【SMILES】
C[C@@]1(C[C@H]2C[C@@H]1C=C2)C(=O)O
【MOL File】
BICYCLO[2.2.1]HEPT-5….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
BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID, 2-METHYL-, (1R,2S,4R)-.cml