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234774-56-2 | 5H-1-Benzopyran-5-one, 2,6,7,8-tetrahydro-2-propyl-
CAS No: 234774-56-2 Catalog No: AG002NCD MDL No:
Product Description
Catalog Number:
AG002NCD
Chemical Name:
5H-1-Benzopyran-5-one, 2,6,7,8-tetrahydro-2-propyl-
CAS Number:
234774-56-2
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
2-propyl-2,6,7,8-tetrahydrochromen-5-one
InChI:
InChI=1S/C12H16O2/c1-2-4-9-7-8-10-11(13)5-3-6-12(10)14-9/h7-9H,2-6H2,1H3
InChI Key:
XAHMZLCWLWMPGH-UHFFFAOYSA-N
SMILES:
CCCC1C=CC2=C(O1)CCCC2=O
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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