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13738-56-2 | 4H-1-Benzopyran-4-one, 2,3,5,6,7,8-hexahydro-2-methyl-
CAS No: 13738-56-2 Catalog No: AG00137R MDL No:
Product Description
Catalog Number:
AG00137R
Chemical Name:
4H-1-Benzopyran-4-one, 2,3,5,6,7,8-hexahydro-2-methyl-
CAS Number:
13738-56-2
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
IUPAC Name:
2-methyl-2,3,5,6,7,8-hexahydrochromen-4-one
InChI:
InChI=1S/C10H14O2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h7H,2-6H2,1H3
InChI Key:
OSRMVNCPCOQYNI-UHFFFAOYSA-N
SMILES:
CC1CC(=O)C2=C(O1)CCCC2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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