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17373-84-1 | Propanedioic acid, 1-butyl 3-ethyl ester
CAS No: 17373-84-1 Catalog No: AG001Z5W MDL No:MFCD00092334
Product Description
Catalog Number:
AG001Z5W
Chemical Name:
Propanedioic acid, 1-butyl 3-ethyl ester
CAS Number:
17373-84-1
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD00092334
IUPAC Name:
3-O-butyl 1-O-ethyl propanedioate
InChI:
InChI=1S/C9H16O4/c1-3-5-6-13-9(11)7-8(10)12-4-2/h3-7H2,1-2H3
InChI Key:
IHVVZSPWQJWRDV-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)CC(=O)OCC
UNII:
D4AGC486TU
FEMA Number:
2195
Properties
Complexity:
165
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:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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