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94277-87-9 | 5,6-DIHYDROXYBICYCLO[2.2.1]HEPTANE-2-CARBALDEHYDE
CAS No: 94277-87-9 Catalog No: AG006C8P MDL No:
Product Description
Catalog Number:
AG006C8P
Chemical Name:
5,6-DIHYDROXYBICYCLO[2.2.1]HEPTANE-2-CARBALDEHYDE
CAS Number:
94277-87-9
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
IUPAC Name:
5,6-dihydroxybicyclo[2.2.1]heptane-2-carbaldehyde
InChI:
InChI=1S/C8H12O3/c9-3-5-1-4-2-6(5)8(11)7(4)10/h3-8,10-11H,1-2H2
InChI Key:
UKQOUUKJEQXAPP-UHFFFAOYSA-N
SMILES:
O=CC1CC2CC1C(C2O)O
EC Number:
304-671-3
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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