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835650-97-0 | Propanedioic acid, (2-chloro-3-butenyl)-2-propenyl-, diethyl ester
CAS No: 835650-97-0 Catalog No: AG004ZAI MDL No:
Product Description
Catalog Number:
AG004ZAI
Chemical Name:
Propanedioic acid, (2-chloro-3-butenyl)-2-propenyl-, diethyl ester
CAS Number:
835650-97-0
Molecular Formula:
C14H21ClO4
Molecular Weight:
288.7671
IUPAC Name:
diethyl 2-(2-chlorobut-3-enyl)-2-prop-1-enylpropanedioate
InChI:
InChI=1S/C14H21ClO4/c1-5-9-14(10-11(15)6-2,12(16)18-7-3)13(17)19-8-4/h5-6,9,11H,2,7-8,10H2,1,3-4H3
InChI Key:
CTGGVNQCYYLOKV-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(CC(C=C)Cl)C=CC
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.113g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.768g/mol
Monoisotopic Mass:
288.113g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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