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124069-02-9 | Carbamic acid, (phenylmethyl)-, heptyl ester (9CI)
CAS No: 124069-02-9 Catalog No: AG000LIX MDL No:
Product Description
Catalog Number:
AG000LIX
Chemical Name:
Carbamic acid, (phenylmethyl)-, heptyl ester (9CI)
CAS Number:
124069-02-9
Molecular Formula:
C15H23NO2
Molecular Weight:
249.3486
IUPAC Name:
heptyl N-benzylcarbamate
InChI:
InChI=1S/C15H23NO2/c1-2-3-4-5-9-12-18-15(17)16-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,16,17)
InChI Key:
MXUHLRHMVNWCRP-UHFFFAOYSA-N
SMILES:
CCCCCCCOC(=O)NCc1ccccc1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.354g/mol
Monoisotopic Mass:
249.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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