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102115-02-6 | 2H-1-Benzopyran-7-ol, 6-(1-methoxyethyl)-2,2-dimethyl- (9CI)
CAS No: 102115-02-6 Catalog No: AG0006NZ MDL No:
Product Description
Catalog Number:
AG0006NZ
Chemical Name:
2H-1-Benzopyran-7-ol, 6-(1-methoxyethyl)-2,2-dimethyl- (9CI)
CAS Number:
102115-02-6
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
IUPAC Name:
6-(1-methoxyethyl)-2,2-dimethylchromen-7-ol
InChI:
InChI=1S/C14H18O3/c1-9(16-4)11-7-10-5-6-14(2,3)17-13(10)8-12(11)15/h5-9,15H,1-4H3
InChI Key:
PLNWJMMDJUGXBF-UHFFFAOYSA-N
SMILES:
COC(c1cc2C=CC(Oc2cc1O)(C)C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.295g/mol
Monoisotopic Mass:
234.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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