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20921-01-1 | 2H-1-Benzopyran-2-one, 3,4-dihydro-7-methyl-
CAS No: 20921-01-1 Catalog No: AG002K3C MDL No:
Product Description
Catalog Number:
AG002K3C
Chemical Name:
2H-1-Benzopyran-2-one, 3,4-dihydro-7-methyl-
CAS Number:
20921-01-1
Molecular Formula:
C10H10O2
Molecular Weight:
162.1852
IUPAC Name:
7-methyl-3,4-dihydrochromen-2-one
InChI:
InChI=1S/C10H10O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-3,6H,4-5H2,1H3
InChI Key:
XFNXOEHBBPLGMZ-UHFFFAOYSA-N
SMILES:
Cc1cc2OC(=O)CCc2cc1
NSC Number:
19514
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.188g/mol
Monoisotopic Mass:
162.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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