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33018-91-6 | Heptanedioic acid,1-ethyl ester
CAS No: 33018-91-6 Catalog No: AG0034JX MDL No:MFCD00014383
Product Description
Catalog Number:
AG0034JX
Chemical Name:
Heptanedioic acid,1-ethyl ester
CAS Number:
33018-91-6
Molecular Formula:
C9H16O4
Molecular Weight:
188.2209
MDL Number:
MFCD00014383
IUPAC Name:
7-ethoxy-7-oxoheptanoic acid
InChI:
InChI=1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11)
InChI Key:
NQYXFXWKKYGBNL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)O
EC Number:
251-346-6
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:
1
Isotope Atom Count:
0
Molecular Weight:
188.223g/mol
Monoisotopic Mass:
188.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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