50902-80-2
4,4-DIMETHYLHEPTANOIC ACID
Name
4,4-DIMETHYLHEPTANOIC ACID
Formula
C9 H18 O2
MolWeight
158.239
1Identification
【Name】
4,4-DIMETHYLHEPTANOIC ACID
【CAS】
【MDL】
MFCD02258561
【English Synonyms】
【Formula】
C9 H18 O2
【MolWeight】
158.239
【Inchi】
InChI=1S/C9H18O2/c1-4-6-9(2,3)7-5-8(10)11/h4-7H2,1-3H3,(H,10,11)
【InChIKey】
InChIKey=YJUJGBZYQJQTFX-UHFFFAOYSA-N
【SMILES】
CCCC(C)(C)CCC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4-DIMETHYLHEPTANOIC ACID.cml
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