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113451-48-2 | Butanedioic acid, methyl-, monomethyl ester (9CI)
CAS No: 113451-48-2 Catalog No: AG0008NR MDL No:
Product Description
Catalog Number:
AG0008NR
Chemical Name:
Butanedioic acid, methyl-, monomethyl ester (9CI)
CAS Number:
113451-48-2
Molecular Formula:
C6H9O4-
Molecular Weight:
145.1333
IUPAC Name:
4-methoxy-3-methyl-4-oxobutanoate
InChI:
InChI=1S/C6H10O4/c1-4(3-5(7)8)6(9)10-2/h4H,3H2,1-2H3,(H,7,8)/p-1
InChI Key:
QEZMQNIFDRNSJZ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)CC(C(=O)OC)C
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.05g/mol
Formal Charge:
-1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.134g/mol
Monoisotopic Mass:
145.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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