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136964-24-4 | Propanedioic acid, 2-(2-cyclopropylidene-1-methylethyl)-, 1,3-dimethyl ester
CAS No: 136964-24-4 Catalog No: AG0012MH MDL No:
Product Description
Catalog Number:
AG0012MH
Chemical Name:
Propanedioic acid, 2-(2-cyclopropylidene-1-methylethyl)-, 1,3-dimethyl ester
CAS Number:
136964-24-4
Molecular Formula:
C11H16O4
Molecular Weight:
212.2423
IUPAC Name:
dimethyl 2-(1-cyclopropylidenepropan-2-yl)propanedioate
InChI:
InChI=1S/C11H16O4/c1-7(6-8-4-5-8)9(10(12)14-2)11(13)15-3/h6-7,9H,4-5H2,1-3H3
InChI Key:
IZGITAZSPPKXOY-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(C=C1CC1)C)C(=O)OC
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.245g/mol
Monoisotopic Mass:
212.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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