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130129-10-1 | 2H-Pyran-2-one, 5,6-dihydro-4-methyl-6-[(phenylmethoxy)methyl]-, (R)- (9CI)
CAS No: 130129-10-1 Catalog No: AG000U1Y MDL No:MFCD09033764
Product Description
Catalog Number:
AG000U1Y
Chemical Name:
2H-Pyran-2-one, 5,6-dihydro-4-methyl-6-[(phenylmethoxy)methyl]-, (R)- (9CI)
CAS Number:
130129-10-1
Molecular Formula:
C14H16O3
Molecular Weight:
232.2750
MDL Number:
MFCD09033764
IUPAC Name:
(2R)-4-methyl-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
InChI:
InChI=1S/C14H16O3/c1-11-7-13(17-14(15)8-11)10-16-9-12-5-3-2-4-6-12/h2-6,8,13H,7,9-10H2,1H3/t13-/m1/s1
InChI Key:
LAENAAGUUTWGCG-CYBMUJFWSA-N
SMILES:
CC1=CC(=O)O[C@H](C1)COCc1ccccc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
232.11g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.279g/mol
Monoisotopic Mass:
232.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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