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1268810-09-8

1268810-09-8 | Carbamic acid, N-(1-ethynylcyclopropyl)-, 1,1-dimethylethyl ester

CAS No: 1268810-09-8 Catalog No: AG000TFC MDL No:MFCD22548363

Product Description

Catalog Number:
AG000TFC
Chemical Name:
Carbamic acid, N-(1-ethynylcyclopropyl)-, 1,1-dimethylethyl ester
CAS Number:
1268810-09-8
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD22548363
IUPAC Name:
tert-butyl N-(1-ethynylcyclopropyl)carbamate
InChI:
InChI=1S/C10H15NO2/c1-5-10(6-7-10)11-8(12)13-9(2,3)4/h1H,6-7H2,2-4H3,(H,11,12)
InChI Key:
QVGLHHJMUIIWAA-UHFFFAOYSA-N
SMILES:
C#CC1(CC1)NC(=O)OC(C)(C)C

Properties

Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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