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119404-54-5 | Butanoic acid, 2,4-dimethoxy-, methyl ester
CAS No: 119404-54-5 Catalog No: AG000P77 MDL No:
Product Description
Catalog Number:
AG000P77
Chemical Name:
Butanoic acid, 2,4-dimethoxy-, methyl ester
CAS Number:
119404-54-5
Molecular Formula:
C7H14O4
Molecular Weight:
162.1837
IUPAC Name:
methyl 2,4-dimethoxybutanoate
InChI:
InChI=1S/C7H14O4/c1-9-5-4-6(10-2)7(8)11-3/h6H,4-5H2,1-3H3
InChI Key:
QPWVRBGHSXSCQZ-UHFFFAOYSA-N
SMILES:
COCCC(C(=O)OC)OC
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.089g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.185g/mol
Monoisotopic Mass:
162.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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