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115205-40-8 | Cyclopentanecarboxaldehyde, 1-(phenylthio)-
CAS No: 115205-40-8 Catalog No: AG000GF7 MDL No:
Product Description
Catalog Number:
AG000GF7
Chemical Name:
Cyclopentanecarboxaldehyde, 1-(phenylthio)-
CAS Number:
115205-40-8
Molecular Formula:
C12H14OS
Molecular Weight:
206.3040
IUPAC Name:
1-phenylsulfanylcyclopentane-1-carbaldehyde
InChI:
InChI=1S/C12H14OS/c13-10-12(8-4-5-9-12)14-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChI Key:
HLKZXXXBIQYUEX-UHFFFAOYSA-N
SMILES:
O=CC1(CCCC1)Sc1ccccc1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.303g/mol
Monoisotopic Mass:
206.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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