200,000+ products from a single source!
sales@angenechem.com
122-44-1 | Benzeneacetic acid, 3-phenylpropyl ester
CAS No: 122-44-1 Catalog No: AG0016JA MDL No:
Product Description
Catalog Number:
AG0016JA
Chemical Name:
Benzeneacetic acid, 3-phenylpropyl ester
CAS Number:
122-44-1
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
IUPAC Name:
3-phenylpropyl 2-phenylacetate
InChI:
InChI=1S/C17H18O2/c18-17(14-16-10-5-2-6-11-16)19-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2
InChI Key:
KBXZBPLAQDTVAW-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1)OCCCc1ccccc1
EC Number:
204-544-1
NSC Number:
6688
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.