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1255098-56-6 | 3-Morpholinecarboxylic acid, 6,6-dimethyl-, methyl ester
CAS No: 1255098-56-6 Catalog No: AG000NS1 MDL No:MFCD11053667
Product Description
Catalog Number:
AG000NS1
Chemical Name:
3-Morpholinecarboxylic acid, 6,6-dimethyl-, methyl ester
CAS Number:
1255098-56-6
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
MDL Number:
MFCD11053667
IUPAC Name:
methyl 6,6-dimethylmorpholine-3-carboxylate
InChI:
InChI=1S/C8H15NO3/c1-8(2)5-9-6(4-12-8)7(10)11-3/h6,9H,4-5H2,1-3H3
InChI Key:
HIOMIOFBGFGDHW-UHFFFAOYSA-N
SMILES:
COC(=O)C1COC(CN1)(C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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