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13877-99-1 | Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(dimethylamino)ethoxy]ethyl ester
CAS No: 13877-99-1 Catalog No: AG0019J5 MDL No:
Product Description
Catalog Number:
AG0019J5
Chemical Name:
Cyclopentanecarboxylic acid, 1-phenyl-, 2-[2-(dimethylamino)ethoxy]ethyl ester
CAS Number:
13877-99-1
Molecular Formula:
C18H27NO3
Molecular Weight:
305.4119
IUPAC Name:
2-[2-(dimethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate
InChI:
InChI=1S/C18H27NO3/c1-19(2)12-13-21-14-15-22-17(20)18(10-6-7-11-18)16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-15H2,1-2H3
InChI Key:
XZUULFZXNSIACY-UHFFFAOYSA-N
SMILES:
CN(CCOCCOC(=O)C1(CCCC1)c1ccccc1)C
UNII:
2ZBF31C62F
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.199g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.418g/mol
Monoisotopic Mass:
305.199g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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