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118757-50-9 | Spiro[2.2]pentaneethanol
CAS No: 118757-50-9 Catalog No: AG00HEQ6 MDL No:MFCD28101543
Product Description
Catalog Number:
AG00HEQ6
Chemical Name:
Spiro[2.2]pentaneethanol
CAS Number:
118757-50-9
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD28101543
IUPAC Name:
2-spiro[2.2]pentan-2-ylethanol
InChI:
InChI=1S/C7H12O/c8-4-1-6-5-7(6)2-3-7/h6,8H,1-5H2
InChI Key:
MJIWDGGQDVOYPX-UHFFFAOYSA-N
SMILES:
OCCC1CC21CC2
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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