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13051-21-3 | Propanedioic acid, 2,2-dimethyl-, 1-methyl ester
CAS No: 13051-21-3 Catalog No: AG000UJ7 MDL No:MFCD09833517
Product Description
Catalog Number:
AG000UJ7
Chemical Name:
Propanedioic acid, 2,2-dimethyl-, 1-methyl ester
CAS Number:
13051-21-3
Molecular Formula:
C6H9O4-
Molecular Weight:
145.1333
MDL Number:
MFCD09833517
IUPAC Name:
3-methoxy-2,2-dimethyl-3-oxopropanoic acid
InChI:
InChI=1S/C6H10O4/c1-6(2,4(7)8)5(9)10-3/h1-3H3,(H,7,8)
InChI Key:
ZFYWXMJNWOVLMZ-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)[O-])(C)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.058g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.142g/mol
Monoisotopic Mass:
146.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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