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85515-87-3 | Propanoic acid, 2,2-dimethoxy-
CAS No: 85515-87-3 Catalog No: AG004MR1 MDL No:
Product Description
Catalog Number:
AG004MR1
Chemical Name:
Propanoic acid, 2,2-dimethoxy-
CAS Number:
85515-87-3
Molecular Formula:
C5H10O4
Molecular Weight:
134.1305
IUPAC Name:
2,2-dimethoxypropanoic acid
InChI:
InChI=1S/C5H10O4/c1-5(8-2,9-3)4(6)7/h1-3H3,(H,6,7)
InChI Key:
SVLPCVGRPXRCHR-UHFFFAOYSA-N
SMILES:
COC(C(=O)O)(OC)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.131g/mol
Monoisotopic Mass:
134.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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