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1305287-88-0 | 3-Morpholinecarboxylic acid, 3-ethyl-, ethyl ester
CAS No: 1305287-88-0 Catalog No: AG000UK4 MDL No:MFCD20688514
Product Description
Catalog Number:
AG000UK4
Chemical Name:
3-Morpholinecarboxylic acid, 3-ethyl-, ethyl ester
CAS Number:
1305287-88-0
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
MDL Number:
MFCD20688514
IUPAC Name:
ethyl 3-ethylmorpholine-3-carboxylate
InChI:
InChI=1S/C9H17NO3/c1-3-9(8(11)13-4-2)7-12-6-5-10-9/h10H,3-7H2,1-2H3
InChI Key:
RSBDKXOBRNCNMQ-UHFFFAOYSA-N
SMILES:
CCC1(COCCN1)C(=O)OCC
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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