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26350-96-9 | 2-Butenedioic acid (2Z)-, 1-(2-ethoxyethyl) ester
CAS No: 26350-96-9 Catalog No: AG002SVH MDL No:
Product Description
Catalog Number:
AG002SVH
Chemical Name:
2-Butenedioic acid (2Z)-, 1-(2-ethoxyethyl) ester
CAS Number:
26350-96-9
Molecular Formula:
C8H12O5
Molecular Weight:
188.1779
IUPAC Name:
(Z)-4-(2-ethoxyethoxy)-4-oxobut-2-enoic acid
InChI:
InChI=1S/C8H12O5/c1-2-12-5-6-13-8(11)4-3-7(9)10/h3-4H,2,5-6H2,1H3,(H,9,10)/b4-3-
InChI Key:
PAUIKJKTXNZJEV-ARJAWSKDSA-N
SMILES:
CCOCCOC(=O)/C=C\C(=O)O
EC Number:
247-627-8
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
188.068g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.179g/mol
Monoisotopic Mass:
188.068g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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