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87234-29-5 | Cyclopropanol, 1-butyl-
CAS No: 87234-29-5 Catalog No: AG004MNB MDL No:
Product Description
Catalog Number:
AG004MNB
Chemical Name:
Cyclopropanol, 1-butyl-
CAS Number:
87234-29-5
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
IUPAC Name:
1-butylcyclopropan-1-ol
InChI:
InChI=1S/C7H14O/c1-2-3-4-7(8)5-6-7/h8H,2-6H2,1H3
InChI Key:
ODGMSFYULMJQFQ-UHFFFAOYSA-N
SMILES:
CCCCC1(O)CC1
Properties
Complexity:
74.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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