41756-77-8
DIHYDROPHASEIC ACID
Name
DIHYDROPHASEIC ACID
Formula
C15 H22 O5
MolWeight
282.334
1Identification
【Name】
DIHYDROPHASEIC ACID
【CAS】
【MDL】
MFCD20260593
【English Synonyms】
【Formula】
C15 H22 O5
【MolWeight】
282.334
【Inchi】
InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t11-,13+,14+,15-/m0/s1
【InChIKey】
InChIKey=XIVFQYWMMJWUCD-VSTJRZLJSA-N
【SMILES】
C/C(=C/C(=O)O)/C=C/[C@@]1([C@@]2(C[C@@H](C[C@]1(OC2)C)O)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIHYDROPHASEIC ACID.cml
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