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128590-29-4 | 1,3-Cyclopentadiene-1-carboxylic acid, 2-methyl-4-phenyl-, ethyl ester
CAS No: 128590-29-4 Catalog No: AG000Y7D MDL No:
Product Description
Catalog Number:
AG000Y7D
Chemical Name:
1,3-Cyclopentadiene-1-carboxylic acid, 2-methyl-4-phenyl-, ethyl ester
CAS Number:
128590-29-4
Molecular Formula:
C15H16O2
Molecular Weight:
228.2863
IUPAC Name:
ethyl 2-methyl-4-phenylcyclopenta-1,3-diene-1-carboxylate
InChI:
InChI=1S/C15H16O2/c1-3-17-15(16)14-10-13(9-11(14)2)12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChI Key:
PTMBKFCMLSDYNS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)C=C(C1)c1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.115g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.291g/mol
Monoisotopic Mass:
228.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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