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823-45-0 | Cyclohexanone,2-(hydroxymethylene)-
CAS No: 823-45-0 Catalog No: AG005DNU MDL No:
Product Description
Catalog Number:
AG005DNU
Chemical Name:
Cyclohexanone,2-(hydroxymethylene)-
CAS Number:
823-45-0
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
(2E)-2-(hydroxymethylidene)cyclohexan-1-one
InChI:
InChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h5,8H,1-4H2/b6-5+
InChI Key:
ORTWDKQPXZLPCA-AATRIKPKSA-N
SMILES:
OC=C1CCCCC1=O
EC Number:
212-514-4
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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