87994-84-1
3-METHYLBUTYRIC ACID-1-13C
Name
3-METHYLBUTYRIC ACID-1-13C
Formula
C5 H10 O2
MolWeight
103.121
1Identification
【Name】
3-METHYLBUTYRIC ACID-1-13C
【CAS】
【MDL】
MFCD00084022
【English Synonyms】
【Formula】
C5 H10 O2
【MolWeight】
103.121
【Inchi】
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)/i5+1
【InChIKey】
InChIKey=GWYFCOCPABKNJV-HOSYLAQJSA-N
【SMILES】
CC(C)C[13C](=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYLBUTYRIC ACID-1-13C.cml
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