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1194376-31-2 | 1-Pyrrolidinecarboxylic acid, 3-cyano-3-hydroxy-, 1,1-dimethylethyl ester
CAS No: 1194376-31-2 Catalog No: AG000IRV MDL No:MFCD11878020
Product Description
Catalog Number:
AG000IRV
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-cyano-3-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
1194376-31-2
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
MDL Number:
MFCD11878020
IUPAC Name:
tert-butyl 3-cyano-3-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H16N2O3/c1-9(2,3)15-8(13)12-5-4-10(14,6-11)7-12/h14H,4-5,7H2,1-3H3
InChI Key:
BNJQQWIFMXEJPB-UHFFFAOYSA-N
SMILES:
N#CC1(O)CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.249g/mol
Monoisotopic Mass:
212.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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