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10036-85-8 | 1,2-Cyclopropanedicarboxylic acid, 3,3-bis(4-methylphenyl)-, 1,2-dimethyl ester
CAS No: 10036-85-8 Catalog No: AG0001Q3 MDL No:
Product Description
Catalog Number:
AG0001Q3
Chemical Name:
1,2-Cyclopropanedicarboxylic acid, 3,3-bis(4-methylphenyl)-, 1,2-dimethyl ester
CAS Number:
10036-85-8
Molecular Formula:
C21H22O4
Molecular Weight:
338.3970
IUPAC Name:
dimethyl 3,3-bis(4-methylphenyl)cyclopropane-1,2-dicarboxylate
InChI:
InChI=1S/C21H22O4/c1-13-5-9-15(10-6-13)21(16-11-7-14(2)8-12-16)17(19(22)24-3)18(21)20(23)25-4/h5-12,17-18H,1-4H3
InChI Key:
WBUBQXNQKKUBAZ-UHFFFAOYSA-N
SMILES:
COC(=O)C1C(C1(c1ccc(cc1)C)c1ccc(cc1)C)C(=O)OC
NSC Number:
117264
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.152g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.403g/mol
Monoisotopic Mass:
338.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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