200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 114423-87-9
114423-87-9 | 2-Cyclopenten-1-one, 3-methoxy-4-methyl-5-phenyl-, trans- (9CI)
CAS No: 114423-87-9 Catalog No: AG000BB5 MDL No:
Product Description
Catalog Number:
AG000BB5
Chemical Name:
2-Cyclopenten-1-one, 3-methoxy-4-methyl-5-phenyl-, trans- (9CI)
CAS Number:
114423-87-9
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
3-methoxy-4-methyl-5-phenylcyclopent-2-en-1-one
InChI:
InChI=1S/C13H14O2/c1-9-12(15-2)8-11(14)13(9)10-6-4-3-5-7-10/h3-9,13H,1-2H3
InChI Key:
MDYGKQDEFPNSFZ-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)[C@H]([C@@H]1C)c1ccccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.