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1363166-12-4 | 1,3-Piperidinedicarboxylic acid, 3-(2-propen-1-yl)-, 1-(phenylmethyl) ester
CAS No: 1363166-12-4 Catalog No: AG0011MU MDL No:MFCD21641324
Product Description
Catalog Number:
AG0011MU
Chemical Name:
1,3-Piperidinedicarboxylic acid, 3-(2-propen-1-yl)-, 1-(phenylmethyl) ester
CAS Number:
1363166-12-4
Molecular Formula:
C17H20NO4-
Molecular Weight:
302.3450
MDL Number:
MFCD21641324
IUPAC Name:
1-phenylmethoxycarbonyl-3-prop-2-enylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C17H21NO4/c1-2-9-17(15(19)20)10-6-11-18(13-17)16(21)22-12-14-7-4-3-5-8-14/h2-5,7-8H,1,6,9-13H2,(H,19,20)
InChI Key:
GCIRLADWUAJKSS-UHFFFAOYSA-N
SMILES:
C=CCC1(CCCN(C1)C(=O)OCc1ccccc1)C(=O)[O-]
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.147g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.358g/mol
Monoisotopic Mass:
303.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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