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78150-03-5 | 1H-Benz[e]indene-2-carboxylicacid, 2,3-dihydro-, methyl ester
CAS No: 78150-03-5 Catalog No: AG0054YW MDL No:
Product Description
Catalog Number:
AG0054YW
Chemical Name:
1H-Benz[e]indene-2-carboxylicacid, 2,3-dihydro-, methyl ester
CAS Number:
78150-03-5
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
IUPAC Name:
methyl 2,3-dihydro-1H-cyclopenta[a]naphthalene-2-carboxylate
InChI:
InChI=1S/C15H14O2/c1-17-15(16)12-8-11-7-6-10-4-2-3-5-13(10)14(11)9-12/h2-7,12H,8-9H2,1H3
InChI Key:
SYASRIPSPURSFG-UHFFFAOYSA-N
SMILES:
COC(=O)C1Cc2c(C1)c1ccccc1cc2
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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