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17860-39-8 | Propanoic acid, 2-methoxy-2-methyl-, methyl ester
CAS No: 17860-39-8 Catalog No: AG002665 MDL No:MFCD13881934
Product Description
Catalog Number:
AG002665
Chemical Name:
Propanoic acid, 2-methoxy-2-methyl-, methyl ester
CAS Number:
17860-39-8
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD13881934
IUPAC Name:
methyl 2-methoxy-2-methylpropanoate
InChI:
InChI=1S/C6H12O3/c1-6(2,9-4)5(7)8-3/h1-4H3
InChI Key:
AKWHOGIYEOZALP-UHFFFAOYSA-N
SMILES:
COC(=O)C(OC)(C)C
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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