200,000+ products from a single source!
sales@angenechem.com
736136-28-0 | CIS-2-(2-OXO-2-PHENYLETHYL)CYCLOHEXANE-1-CARBOXYLIC ACID
CAS No: 736136-28-0 Catalog No: AG005C55 MDL No:
Product Description
Catalog Number:
AG005C55
Chemical Name:
CIS-2-(2-OXO-2-PHENYLETHYL)CYCLOHEXANE-1-CARBOXYLIC ACID
CAS Number:
736136-28-0
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
IUPAC Name:
(1R,2R)-2-phenacylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C15H18O3/c16-14(11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(17)18/h1-3,6-7,12-13H,4-5,8-10H2,(H,17,18)/t12-,13-/m1/s1
InChI Key:
RKPPDKWMENPRKR-CHWSQXEVSA-N
SMILES:
OC(=O)[C@@H]1CCCC[C@@H]1CC(=O)c1ccccc1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
246.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.306g/mol
Monoisotopic Mass:
246.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.