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2594-36-7 | Carbamic acid, dimethyl-, pentyl ester (7CI,8CI,9CI)
CAS No: 2594-36-7 Catalog No: AG002R4X MDL No:
Product Description
Catalog Number:
AG002R4X
Chemical Name:
Carbamic acid, dimethyl-, pentyl ester (7CI,8CI,9CI)
CAS Number:
2594-36-7
Molecular Formula:
C8H17NO2
Molecular Weight:
159.2261
IUPAC Name:
pentyl N,N-dimethylcarbamate
InChI:
InChI=1S/C8H17NO2/c1-4-5-6-7-11-8(10)9(2)3/h4-7H2,1-3H3
InChI Key:
WIGKXSNNRUUBPD-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)N(C)C
Properties
Complexity:
113
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:
0
Isotope Atom Count:
0
Molecular Weight:
159.229g/mol
Monoisotopic Mass:
159.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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