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122775-02-4 | Cyclopropanecarboxylic acid, 2-methoxy-3-(1-methylethyl)-
CAS No: 122775-02-4 Catalog No: AG000JG2 MDL No:
Product Description
Catalog Number:
AG000JG2
Chemical Name:
Cyclopropanecarboxylic acid, 2-methoxy-3-(1-methylethyl)-
CAS Number:
122775-02-4
Molecular Formula:
C8H14O3
Molecular Weight:
158.1950
IUPAC Name:
2-methoxy-3-propan-2-ylcyclopropane-1-carboxylic acid
InChI:
InChI=1S/C8H14O3/c1-4(2)5-6(8(9)10)7(5)11-3/h4-7H,1-3H3,(H,9,10)
InChI Key:
KCCFKATXYGTEBQ-UHFFFAOYSA-N
SMILES:
COC1C(C1C(C)C)C(=O)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.094g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.197g/mol
Monoisotopic Mass:
158.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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