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737000-99-6 | (S)-(+)-1-(3-Methoxyphenyl)ethyl isothiocyanate, 98%
CAS No: 737000-99-6 Catalog No: AG003CFG MDL No:
Product Description
Catalog Number:
AG003CFG
Chemical Name:
(S)-(+)-1-(3-Methoxyphenyl)ethyl isothiocyanate, 98%
CAS Number:
737000-99-6
IUPAC Name:
1-[(1S)-1-isothiocyanatoethyl]-3-methoxybenzene
InChI:
InChI=1S/C10H11NOS/c1-8(11-7-13)9-4-3-5-10(6-9)12-2/h3-6,8H,1-2H3/t8-/m0/s1
InChI Key:
VLULNKVRCHBYJM-QMMMGPOBSA-N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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