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1408075-28-4 | Cyclobutanecarboxylic acid, 3,3-dimethoxy-1-methyl-
CAS No: 1408075-28-4 Catalog No: AG001CU0 MDL No:MFCD23106030
Product Description
Catalog Number:
AG001CU0
Chemical Name:
Cyclobutanecarboxylic acid, 3,3-dimethoxy-1-methyl-
CAS Number:
1408075-28-4
Molecular Formula:
C8H14O4
Molecular Weight:
174.1944
MDL Number:
MFCD23106030
IUPAC Name:
3,3-dimethoxy-1-methylcyclobutane-1-carboxylic acid
InChI:
InChI=1S/C8H14O4/c1-7(6(9)10)4-8(5-7,11-2)12-3/h4-5H2,1-3H3,(H,9,10)
InChI Key:
IFTGAPGNKSGXOF-UHFFFAOYSA-N
SMILES:
COC1(OC)CC(C1)(C)C(=O)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.089g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.196g/mol
Monoisotopic Mass:
174.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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