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130129-22-5 | 2H-Pyran-2-one, 4-ethenyltetrahydro-4-methyl-6-[(phenylmethoxy)methyl]-, (4S-trans)- (9CI)
CAS No: 130129-22-5 Catalog No: AG000U1X MDL No:MFCD09033765
Product Description
Catalog Number:
AG000U1X
Chemical Name:
2H-Pyran-2-one, 4-ethenyltetrahydro-4-methyl-6-[(phenylmethoxy)methyl]-, (4S-trans)- (9CI)
CAS Number:
130129-22-5
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
MDL Number:
MFCD09033765
IUPAC Name:
(4S,6R)-4-ethenyl-4-methyl-6-(phenylmethoxymethyl)oxan-2-one
InChI:
InChI=1S/C16H20O3/c1-3-16(2)9-14(19-15(17)10-16)12-18-11-13-7-5-4-6-8-13/h3-8,14H,1,9-12H2,2H3/t14-,16+/m1/s1
InChI Key:
BJLTUDZBDSRQPV-ZBFHGGJFSA-N
SMILES:
C=C[C@@]1(C)C[C@H](COCc2ccccc2)OC(=O)C1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
260.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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