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2060007-44-3 | 2-(thian-3-yl)cyclopropane-1-carbaldehyde
CAS No: 2060007-44-3 Catalog No: AG01BW3U MDL No:MFCD30476749
Product Description
Catalog Number:
AG01BW3U
Chemical Name:
2-(thian-3-yl)cyclopropane-1-carbaldehyde
CAS Number:
2060007-44-3
Molecular Formula:
C9H14OS
Molecular Weight:
170.2719
MDL Number:
MFCD30476749
IUPAC Name:
2-(thian-3-yl)cyclopropane-1-carbaldehyde
InChI:
InChI=1S/C9H14OS/c10-5-8-4-9(8)7-2-1-3-11-6-7/h5,7-9H,1-4,6H2
InChI Key:
KIGPDLMDUAWXND-UHFFFAOYSA-N
SMILES:
O=CC1CC1C1CCCSC1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.077g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.27g/mol
Monoisotopic Mass:
170.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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