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10041-27-7 | Acetic acid, 2-[(2-methyl-2-propen-1-yl)oxy]-
CAS No: 10041-27-7 Catalog No: AG0001XI MDL No:
Product Description
Catalog Number:
AG0001XI
Chemical Name:
Acetic acid, 2-[(2-methyl-2-propen-1-yl)oxy]-
CAS Number:
10041-27-7
Molecular Formula:
C6H10O3
Molecular Weight:
130.1418
IUPAC Name:
2-(2-methylprop-2-enoxy)acetic acid
InChI:
InChI=1S/C6H10O3/c1-5(2)3-9-4-6(7)8/h1,3-4H2,2H3,(H,7,8)
InChI Key:
KWBYXBYRUHMDAR-UHFFFAOYSA-N
SMILES:
CC(=C)COCC(=O)O
UNII:
1W9857785A
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.063g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
130.143g/mol
Monoisotopic Mass:
130.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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