200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1219175-87-7
1219175-87-7 | 1,2-Piperidinedicarboxylic acid, 6-phenyl-, 1-(1,1-dimethylethyl) ester
CAS No: 1219175-87-7 Catalog No: AG0016E4 MDL No:MFCD02179136
Product Description
Catalog Number:
AG0016E4
Chemical Name:
1,2-Piperidinedicarboxylic acid, 6-phenyl-, 1-(1,1-dimethylethyl) ester
CAS Number:
1219175-87-7
Molecular Formula:
C17H22NO4-
Molecular Weight:
304.3609
MDL Number:
MFCD02179136
IUPAC Name:
1-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenylpiperidine-2-carboxylic acid
InChI:
InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-13(12-8-5-4-6-9-12)10-7-11-14(18)15(19)20/h4-6,8-9,13-14H,7,10-11H2,1-3H3,(H,19,20)
InChI Key:
QJJFWVCMROGUPE-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CCCC(N1C(=O)OC(C)(C)C)c1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.374g/mol
Monoisotopic Mass:
305.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.