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80916-30-9 | Ethanone, 2-diazo-1-[4-(4-methoxyphenyl)-1-methyl-3-cyclohexen-1-yl]-
CAS No: 80916-30-9 Catalog No: AG0056XL MDL No:
Product Description
Catalog Number:
AG0056XL
Chemical Name:
Ethanone, 2-diazo-1-[4-(4-methoxyphenyl)-1-methyl-3-cyclohexen-1-yl]-
CAS Number:
80916-30-9
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
IUPAC Name:
2-diazo-1-[4-(4-methoxyphenyl)-1-methylcyclohex-3-en-1-yl]ethanone
InChI:
InChI=1S/C16H18N2O2/c1-16(15(19)11-18-17)9-7-13(8-10-16)12-3-5-14(20-2)6-4-12/h3-7,11H,8-10H2,1-2H3
InChI Key:
YVUTVQSYUHSQOR-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=CC(=O)C1(C)CCC(=CC1)c1ccc(cc1)OC
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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