780724-15-4
3-CYCLOHEXENE-1-CARBOXYLIC ACID, 2-AMINO-, METHYL ESTER, TRANS-
Name3-CYCLOHEXENE-1-CARBOXYLIC ACID, 2-AMINO-, METHYL ESTER, TRANS-
1Identification
【Name】
3-CYCLOHEXENE-1-CARBOXYLIC ACID, 2-AMINO-, METHYL ESTER, TRANS-
【CAS】
【MDL】
MFCD18830893
【English Synonyms】
【Formula】
C8 H13 N O2
【MolWeight】
155.196
【Inchi】
InChI=1S/C8H13NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h3,5-7H,2,4,9H2,1H3/t6-,7-/m1/s1
【InChIKey】
InChIKey=NWJRNTPMBLAABP-RNFRBKRXSA-N
【SMILES】
COC(=O)[C@@H]1CCC=C[C@H]1N
【MOL File】
3-CYCLOHEXENE-1-CARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CYCLOHEXENE-1-CARBOXYLIC ACID, 2-AMINO-, METHYL ESTER, TRANS-.cml