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67252-14-6 | 3-HYDROXY-1-CYCLOHEXENE-1-CARBOXALDEHYDE
CAS No: 67252-14-6 Catalog No: AG005PW7 MDL No:
Product Description
Catalog Number:
AG005PW7
Chemical Name:
3-HYDROXY-1-CYCLOHEXENE-1-CARBOXALDEHYDE
CAS Number:
67252-14-6
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
3-hydroxycyclohexene-1-carbaldehyde
InChI:
InChI=1S/C7H10O2/c8-5-6-2-1-3-7(9)4-6/h4-5,7,9H,1-3H2
InChI Key:
URHLBJORXQXSQF-UHFFFAOYSA-N
SMILES:
O=CC1=CC(CCC1)O
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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