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101595-78-2 | 1,1,2,2-Cyclopropanetetracarboxylic acid, 3-phenyl-, 1,1,2,2-tetramethyl ester
CAS No: 101595-78-2 Catalog No: AG0004X7 MDL No:
Product Description
Catalog Number:
AG0004X7
Chemical Name:
1,1,2,2-Cyclopropanetetracarboxylic acid, 3-phenyl-, 1,1,2,2-tetramethyl ester
CAS Number:
101595-78-2
Molecular Formula:
C17H18O8
Molecular Weight:
350.3200
IUPAC Name:
tetramethyl 3-phenylcyclopropane-1,1,2,2-tetracarboxylate
InChI:
InChI=1S/C17H18O8/c1-22-12(18)16(13(19)23-2)11(10-8-6-5-7-9-10)17(16,14(20)24-3)15(21)25-4/h5-9,11H,1-4H3
InChI Key:
VZXDVOPPLINWJO-UHFFFAOYSA-N
SMILES:
COC(=O)C1(C(=O)OC)C(C1(C(=O)OC)C(=O)OC)c1ccccc1
NSC Number:
230391
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.1g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.323g/mol
Monoisotopic Mass:
350.1g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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