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92617-06-6 | 1H-2-Benzopyran-4(3H)-one, 1-methoxy-
CAS No: 92617-06-6 Catalog No: AG006G1R MDL No:
Product Description
Catalog Number:
AG006G1R
Chemical Name:
1H-2-Benzopyran-4(3H)-one, 1-methoxy-
CAS Number:
92617-06-6
Molecular Formula:
C10H10O3
Molecular Weight:
178.1846
IUPAC Name:
1-methoxy-1H-isochromen-4-one
InChI:
InChI=1S/C10H10O3/c1-12-10-8-5-3-2-4-7(8)9(11)6-13-10/h2-5,10H,6H2,1H3
InChI Key:
DTMSAHHURJRQKS-UHFFFAOYSA-N
SMILES:
COC1OCC(=O)c2c1cccc2
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.187g/mol
Monoisotopic Mass:
178.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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