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33375-06-3 | (R)-(+)-α-Methylbenzyl isocyanate
CAS No: 33375-06-3 Catalog No: AG00327G MDL No:MFCD00063015
Product Description
Catalog Number:
AG00327G
Chemical Name:
(R)-(+)-α-Methylbenzyl isocyanate
CAS Number:
33375-06-3
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00063015
IUPAC Name:
[(1R)-1-isocyanatoethyl]benzene
InChI:
InChI=1S/C9H9NO/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3/t8-/m1/s1
InChI Key:
JJSCUXAFAJEQGB-MRVPVSSYSA-N
SMILES:
C[C@H](c1ccccc1)N=C=O
EC Number:
251-485-2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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