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137373-55-8 | Butanoic acid, (2-methyl-1-oxopropoxy)methyl ester
CAS No: 137373-55-8 Catalog No: AG00137J MDL No:
Product Description
Catalog Number:
AG00137J
Chemical Name:
Butanoic acid, (2-methyl-1-oxopropoxy)methyl ester
CAS Number:
137373-55-8
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
IUPAC Name:
2-methylpropanoyloxymethyl butanoate
InChI:
InChI=1S/C9H16O4/c1-4-5-8(10)12-6-13-9(11)7(2)3/h7H,4-6H2,1-3H3
InChI Key:
WMCYKCQZUHWYSS-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCOC(=O)C(C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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