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132524-91-5 | 3-Butenoic acid, 2-diazo-, 1,1-dimethylethyl ester
CAS No: 132524-91-5 Catalog No: AG0010SM MDL No:
Product Description
Catalog Number:
AG0010SM
Chemical Name:
3-Butenoic acid, 2-diazo-, 1,1-dimethylethyl ester
CAS Number:
132524-91-5
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
tert-butyl 2-diazobut-3-enoate
InChI:
InChI=1S/C8H12N2O2/c1-5-6(10-9)7(11)12-8(2,3)4/h5H,1H2,2-4H3
InChI Key:
ZPOBKHKSYJTWIZ-UHFFFAOYSA-N
SMILES:
C=CC(=[N+]=[N-])C(=O)OC(C)(C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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