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137304-30-4 | Cycloheptanone, 2-(methoxymethylene)-
CAS No: 137304-30-4 Catalog No: AG00132C MDL No:
Product Description
Catalog Number:
AG00132C
Chemical Name:
Cycloheptanone, 2-(methoxymethylene)-
CAS Number:
137304-30-4
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
2-(methoxymethylidene)cycloheptan-1-one
InChI:
InChI=1S/C9H14O2/c1-11-7-8-5-3-2-4-6-9(8)10/h7H,2-6H2,1H3
InChI Key:
ISHUVFSRWXUSIS-UHFFFAOYSA-N
SMILES:
COC=C1CCCCCC1=O
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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