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17996-12-2 | Carbamic acid, N-(6-hydroxyhexyl)-, phenylmethyl ester
CAS No: 17996-12-2 Catalog No: AG0021J9 MDL No:MFCD00859036
Product Description
Catalog Number:
AG0021J9
Chemical Name:
Carbamic acid, N-(6-hydroxyhexyl)-, phenylmethyl ester
CAS Number:
17996-12-2
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
MDL Number:
MFCD00859036
IUPAC Name:
benzyl N-(6-hydroxyhexyl)carbamate
InChI:
InChI=1S/C14H21NO3/c16-11-7-2-1-6-10-15-14(17)18-12-13-8-4-3-5-9-13/h3-5,8-9,16H,1-2,6-7,10-12H2,(H,15,17)
InChI Key:
JMOQYRXPJQMWRQ-UHFFFAOYSA-N
SMILES:
OCCCCCCNC(=O)OCc1ccccc1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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