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131297-27-3 | 4-Pentenethioic acid, 2-cyano-, S-methyl ester
CAS No: 131297-27-3 Catalog No: AG000VVO MDL No:
Product Description
Catalog Number:
AG000VVO
Chemical Name:
4-Pentenethioic acid, 2-cyano-, S-methyl ester
CAS Number:
131297-27-3
Molecular Formula:
C7H9NOS
Molecular Weight:
155.2175
IUPAC Name:
S-methyl 2-cyanopent-4-enethioate
InChI:
InChI=1S/C7H9NOS/c1-3-4-6(5-8)7(9)10-2/h3,6H,1,4H2,2H3
InChI Key:
DGRFQZWVQKKROX-UHFFFAOYSA-N
SMILES:
CSC(=O)C(C#N)CC=C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.04g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.215g/mol
Monoisotopic Mass:
155.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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