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1136-23-8 | 2H-Pyran-2,6(3H)-dione, dihydro-3-(2-methylphenyl)-
CAS No: 1136-23-8 Catalog No: AG00094C MDL No:
Product Description
Catalog Number:
AG00094C
Chemical Name:
2H-Pyran-2,6(3H)-dione, dihydro-3-(2-methylphenyl)-
CAS Number:
1136-23-8
Molecular Formula:
C12H12O3
Molecular Weight:
204.2219
IUPAC Name:
3-(2-methylphenyl)oxane-2,6-dione
InChI:
InChI=1S/C12H12O3/c1-8-4-2-3-5-9(8)10-6-7-11(13)15-12(10)14/h2-5,10H,6-7H2,1H3
InChI Key:
QHOCTVQNFRRMPO-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(=O)O1)c1ccccc1C
NSC Number:
151700
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.225g/mol
Monoisotopic Mass:
204.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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