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100823-18-5 | Carbamic acid, N-butyl-, propyl ester
CAS No: 100823-18-5 Catalog No: AG0002YB MDL No:
Product Description
Catalog Number:
AG0002YB
Chemical Name:
Carbamic acid, N-butyl-, propyl ester
CAS Number:
100823-18-5
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
IUPAC Name:
propyl N-butylcarbamate
InChI:
InChI=1S/C8H17NO2/c1-3-5-6-9-8(10)11-7-4-2/h3-7H2,1-2H3,(H,9,10)
InChI Key:
KJWVVSYDYGOFSU-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)OCCC
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.126g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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