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101199-74-0 | Benzoic acid, 2-(2-diazoacetyl)-, 3-buten-1-yl ester
CAS No: 101199-74-0 Catalog No: AG0003XD MDL No:
Product Description
Catalog Number:
AG0003XD
Chemical Name:
Benzoic acid, 2-(2-diazoacetyl)-, 3-buten-1-yl ester
CAS Number:
101199-74-0
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
but-3-enyl 2-(2-diazoacetyl)benzoate
InChI:
InChI=1S/C13H12N2O3/c1-2-3-8-18-13(17)11-7-5-4-6-10(11)12(16)9-15-14/h2,4-7,9H,1,3,8H2
InChI Key:
ZFORAMCOTDZRNV-UHFFFAOYSA-N
SMILES:
C=CCCOC(=O)c1ccccc1C(=O)C=[N+]=[N-]
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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