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824933-16-6 | Carbamic acid, 2-pyrimidinyl-, 2-methylpropyl ester
CAS No: 824933-16-6 Catalog No: AG004VKL MDL No:
Product Description
Catalog Number:
AG004VKL
Chemical Name:
Carbamic acid, 2-pyrimidinyl-, 2-methylpropyl ester
CAS Number:
824933-16-6
Molecular Formula:
C9H13N3O2
Molecular Weight:
195.2184
IUPAC Name:
2-methylpropyl N-pyrimidin-2-ylcarbamate
InChI:
InChI=1S/C9H13N3O2/c1-7(2)6-14-9(13)12-8-10-4-3-5-11-8/h3-5,7H,6H2,1-2H3,(H,10,11,12,13)
InChI Key:
UAJVYAFJEQQIMV-UHFFFAOYSA-N
SMILES:
CC(COC(=O)Nc1ncccn1)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:
195.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.222g/mol
Monoisotopic Mass:
195.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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