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Home > Other Heterocycles > 1803582-54-8
1803582-54-8 | 1-{bicyclo[2.2.1]heptan-2-yl}-2-methylbut-3-en-2-ol
CAS No: 1803582-54-8 Catalog No: AG01AFXN MDL No:MFCD27980654
Product Description
Catalog Number:
AG01AFXN
Chemical Name:
1-{bicyclo[2.2.1]heptan-2-yl}-2-methylbut-3-en-2-ol
CAS Number:
1803582-54-8
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
MDL Number:
MFCD27980654
IUPAC Name:
1-(2-bicyclo[2.2.1]heptanyl)-2-methylbut-3-en-2-ol
InChI:
InChI=1S/C12H20O/c1-3-12(2,13)8-11-7-9-4-5-10(11)6-9/h3,9-11,13H,1,4-8H2,2H3
InChI Key:
RQHMVOAGVWAULK-UHFFFAOYSA-N
SMILES:
C=CC(CC1CC2CC1CC2)(O)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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