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13227-14-0 | 4-Oxazolidinecarboxylic acid, 2-isopropyl-5-methyl- (8CI)
CAS No: 13227-14-0 Catalog No: AG0010GP MDL No:
Product Description
Catalog Number:
AG0010GP
Chemical Name:
4-Oxazolidinecarboxylic acid, 2-isopropyl-5-methyl- (8CI)
CAS Number:
13227-14-0
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
IUPAC Name:
5-methyl-2-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
InChI:
InChI=1S/C8H15NO3/c1-4(2)7-9-6(8(10)11)5(3)12-7/h4-7,9H,1-3H3,(H,10,11)
InChI Key:
XXHMCLCNSWZYNJ-UHFFFAOYSA-N
SMILES:
CC(C1OC(C(N1)C(=O)O)C)C
Properties
Complexity:
181
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:
2
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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