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32980-26-0 | 4-Methoxy-3,3-dimethyl-4-oxobutanoic acid
CAS No: 32980-26-0 Catalog No: AG003LMP MDL No:MFCD11617811
Product Description
Catalog Number:
AG003LMP
Chemical Name:
4-Methoxy-3,3-dimethyl-4-oxobutanoic acid
CAS Number:
32980-26-0
Molecular Formula:
C7H12O4
Molecular Weight:
160.1678
MDL Number:
MFCD11617811
IUPAC Name:
4-methoxy-3,3-dimethyl-4-oxobutanoic acid
InChI:
InChI=1S/C7H12O4/c1-7(2,4-5(8)9)6(10)11-3/h4H2,1-3H3,(H,8,9)
InChI Key:
NENLLFGJFVVZEU-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC(=O)O)(C)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.169g/mol
Monoisotopic Mass:
160.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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