178991-18-9
1,3-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 6-METHYL-, METHYL ESTER, (R)-
Name1,3-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 6-METHYL-, METHYL ESTER, (R)-
1Identification
【Name】
1,3-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 6-METHYL-, METHYL ESTER, (R)-
【CAS】
【MDL】
MFCD18830815
【English Synonyms】
【Formula】
C9 H12 O2
【MolWeight】
152.192
【Inchi】
InChI=1S/C9H12O2/c1-7-5-3-4-6-8(7)9(10)11-2/h3-4,6-7H,5H2,1-2H3/t7-/m1/s1
【InChIKey】
InChIKey=RJMGNWLDUBCFPN-SSDOTTSWSA-N
【SMILES】
C[C@@H]1CC=CC=C1C(=O)OC
【MOL File】
1,3-CYCLOHEXADIENE-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-CYCLOHEXADIENE-1-CARBOXYLIC ACID, 6-METHYL-, METHYL ESTER, (R)-.cml