200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 156109-64-7
156109-64-7 | Butanedioic acid, (3-phenylpropyl)-, 4-(1,1-dimethylethyl) ester, (2R)- (9CI)
CAS No: 156109-64-7 Catalog No: AG001OJA MDL No:
Product Description
Catalog Number:
AG001OJA
Chemical Name:
Butanedioic acid, (3-phenylpropyl)-, 4-(1,1-dimethylethyl) ester, (2R)- (9CI)
CAS Number:
156109-64-7
Molecular Formula:
C17H23O4-
Molecular Weight:
291.3621
IUPAC Name:
(2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylpentanoate
InChI:
InChI=1S/C17H24O4/c1-17(2,3)21-15(18)12-14(16(19)20)11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3,(H,19,20)/p-1/t14-/m1/s1
InChI Key:
BLLMQOGLBBYQOS-CQSZACIVSA-M
SMILES:
O=C(OC(C)(C)C)C[C@H](C(=O)[O-])CCCc1ccccc1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.16g/mol
Formal Charge:
-1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.367g/mol
Monoisotopic Mass:
291.16g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.