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70573-27-2 | 3-Heptanone, 2-diazo-6-(4-hydroxyphenyl)-6-methyl-
CAS No: 70573-27-2 Catalog No: AG005I11 MDL No:
Product Description
Catalog Number:
AG005I11
Chemical Name:
3-Heptanone, 2-diazo-6-(4-hydroxyphenyl)-6-methyl-
CAS Number:
70573-27-2
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
IUPAC Name:
2-diazo-6-(4-hydroxyphenyl)-6-methylheptan-3-one
InChI:
InChI=1S/C14H18N2O2/c1-10(16-15)13(18)8-9-14(2,3)11-4-6-12(17)7-5-11/h4-7,17H,8-9H2,1-3H3
InChI Key:
YNPZIRNAACRSRW-UHFFFAOYSA-N
SMILES:
O=C(C(=[N+]=[N-])C)CCC(c1ccc(cc1)O)(C)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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