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113747-67-4 | 2-Cyclobuten-1-ol
CAS No: 113747-67-4 Catalog No: AG0009JA MDL No:
Product Description
Catalog Number:
AG0009JA
Chemical Name:
2-Cyclobuten-1-ol
CAS Number:
113747-67-4
Molecular Formula:
C4H6O
Molecular Weight:
70.0898
IUPAC Name:
cyclobut-2-en-1-ol
InChI:
InChI=1S/C4H6O/c5-4-2-1-3-4/h1-2,4-5H,3H2
InChI Key:
VFOIXRFJKNUPPD-UHFFFAOYSA-N
SMILES:
OC1CC=C1
Properties
Complexity:
56.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
70.042g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
70.091g/mol
Monoisotopic Mass:
70.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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