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129410-08-8 | 2H-1-Benzopyran-3-carboxylic acid, 4-hydroxy-2-phenyl-, methyl ester
CAS No: 129410-08-8 Catalog No: AG000Z46 MDL No:
Product Description
Catalog Number:
AG000Z46
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 4-hydroxy-2-phenyl-, methyl ester
CAS Number:
129410-08-8
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
IUPAC Name:
methyl 4-hydroxy-2-phenyl-2H-chromene-3-carboxylate
InChI:
InChI=1S/C17H14O4/c1-20-17(19)14-15(18)12-9-5-6-10-13(12)21-16(14)11-7-3-2-4-8-11/h2-10,16,18H,1H3
InChI Key:
YNQAFYIBCZWEFC-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(O)c2c(OC1c1ccccc1)cccc2
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.295g/mol
Monoisotopic Mass:
282.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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