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Home > Other Heterocycles > 1227935-82-1
1227935-82-1 | 6-methoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclopentane]-4-one
CAS No: 1227935-82-1 Catalog No: AG01BOWA MDL No:MFCD30499655
Product Description
Catalog Number:
AG01BOWA
Chemical Name:
6-methoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclopentane]-4-one
CAS Number:
1227935-82-1
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
MDL Number:
MFCD30499655
IUPAC Name:
6-methoxyspiro[3H-chromene-2,1'-cyclopentane]-4-one
InChI:
InChI=1S/C14H16O3/c1-16-10-4-5-13-11(8-10)12(15)9-14(17-13)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3
InChI Key:
ZCNHAXURISUXHJ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)CC1(O2)CCCC1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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