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101974-70-3 | 2-Propynal, 3-cyclopropyl-
CAS No: 101974-70-3 Catalog No: AG00064J MDL No:
Product Description
Catalog Number:
AG00064J
Chemical Name:
2-Propynal, 3-cyclopropyl-
CAS Number:
101974-70-3
Molecular Formula:
C6H6O
Molecular Weight:
94.1112
IUPAC Name:
3-cyclopropylprop-2-ynal
InChI:
InChI=1S/C6H6O/c7-5-1-2-6-3-4-6/h5-6H,3-4H2
InChI Key:
GNRZPYASNQVWEM-UHFFFAOYSA-N
SMILES:
O=CC#CC1CC1
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
94.042g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
94.113g/mol
Monoisotopic Mass:
94.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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