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Home > Other Heterocycles > 73090-06-9
73090-06-9 | Spiro[cyclopentane-1,1'(3'H)-isobenzofuran]-3'-one
CAS No: 73090-06-9 Catalog No: AG005MC1 MDL No:
Product Description
Catalog Number:
AG005MC1
Chemical Name:
Spiro[cyclopentane-1,1'(3'H)-isobenzofuran]-3'-one
CAS Number:
73090-06-9
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
spiro[2-benzofuran-3,1'-cyclopentane]-1-one
InChI:
InChI=1S/C12H12O2/c13-11-9-5-1-2-6-10(9)12(14-11)7-3-4-8-12/h1-2,5-6H,3-4,7-8H2
InChI Key:
QKLSNEUUBSCPLL-UHFFFAOYSA-N
SMILES:
O=C1OC2(c3c1cccc3)CCCC2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Identification and comparative quantification of bio-active phthalides in essential oils from si-wu-tang, fo-shou-san, radix angelica and rhizoma chuanxiong. | Molecules (Basel, Switzerland) 20100115 |
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