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88252-74-8 | 2H-1-Benzopyran, 6-methoxy-2,2,4-trimethyl-
CAS No: 88252-74-8 Catalog No: AG004CH0 MDL No:
Product Description
Catalog Number:
AG004CH0
Chemical Name:
2H-1-Benzopyran, 6-methoxy-2,2,4-trimethyl-
CAS Number:
88252-74-8
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
6-methoxy-2,2,4-trimethylchromene
InChI:
InChI=1S/C13H16O2/c1-9-8-13(2,3)15-12-6-5-10(14-4)7-11(9)12/h5-8H,1-4H3
InChI Key:
JCQVFEPFFFKUCC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=CC(O2)(C)C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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