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89733-26-6 | Carbamic acid, (1-ethylpropyl)-, 2-propynyl ester
CAS No: 89733-26-6 Catalog No: AG0041HE MDL No:
Product Description
Catalog Number:
AG0041HE
Chemical Name:
Carbamic acid, (1-ethylpropyl)-, 2-propynyl ester
CAS Number:
89733-26-6
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
prop-2-ynyl N-pentan-3-ylcarbamate
InChI:
InChI=1S/C9H15NO2/c1-4-7-12-9(11)10-8(5-2)6-3/h1,8H,5-7H2,2-3H3,(H,10,11)
InChI Key:
FUPZKLMWWNPDNZ-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)OCC#C)CC
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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