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113406-16-9 | Carbamic acid, (phenylmethyl)-, 6-hydroxy-2,4-hexadiynyl ester (9CI)
CAS No: 113406-16-9 Catalog No: AG0008HG MDL No:
Product Description
Catalog Number:
AG0008HG
Chemical Name:
Carbamic acid, (phenylmethyl)-, 6-hydroxy-2,4-hexadiynyl ester (9CI)
CAS Number:
113406-16-9
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
6-hydroxyhexa-2,4-diynyl N-benzylcarbamate
InChI:
InChI=1S/C14H13NO3/c16-10-6-1-2-7-11-18-14(17)15-12-13-8-4-3-5-9-13/h3-5,8-9,16H,10-12H2,(H,15,17)
InChI Key:
DZUSDURJGRBNHI-UHFFFAOYSA-N
SMILES:
OCC#CC#CCOC(=O)NCc1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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