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102450-96-4 | Carbamic acid, hexyl-, oxiranylmethyl ester (9CI)
CAS No: 102450-96-4 Catalog No: AG0007IK MDL No:
Product Description
Catalog Number:
AG0007IK
Chemical Name:
Carbamic acid, hexyl-, oxiranylmethyl ester (9CI)
CAS Number:
102450-96-4
Molecular Formula:
C10H19NO3
Molecular Weight:
201.2628
IUPAC Name:
oxiran-2-ylmethyl N-hexylcarbamate
InChI:
InChI=1S/C10H19NO3/c1-2-3-4-5-6-11-10(12)14-8-9-7-13-9/h9H,2-8H2,1H3,(H,11,12)
InChI Key:
GYKHSHCBDUPRPY-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=O)OCC1CO1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.266g/mol
Monoisotopic Mass:
201.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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