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Home > Other Heterocycles > 97403-92-4
97403-92-4 | 1-BICYCLO[2.2.1]HEPT-5-EN-2-YL-4-HYDROXYBUTAN-2-ONE
CAS No: 97403-92-4 Catalog No: AG005ZN5 MDL No:
Product Description
Catalog Number:
AG005ZN5
Chemical Name:
1-BICYCLO[2.2.1]HEPT-5-EN-2-YL-4-HYDROXYBUTAN-2-ONE
CAS Number:
97403-92-4
Molecular Formula:
C11H16O2
Molecular Weight:
180.2435
IUPAC Name:
1-(2-bicyclo[2.2.1]hept-5-enyl)-4-hydroxybutan-2-one
InChI:
InChI=1S/C11H16O2/c12-4-3-11(13)7-10-6-8-1-2-9(10)5-8/h1-2,8-10,12H,3-7H2
InChI Key:
IOURLUJNIODGHH-UHFFFAOYSA-N
SMILES:
OCCC(=O)CC1CC2CC1C=C2
EC Number:
306-755-5
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.247g/mol
Monoisotopic Mass:
180.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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