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16297-94-2 | 3H-Diazirine-3-propanol, 3-methyl-
CAS No: 16297-94-2 Catalog No: AG001TLG MDL No:MFCD27995612
Product Description
Catalog Number:
AG001TLG
Chemical Name:
3H-Diazirine-3-propanol, 3-methyl-
CAS Number:
16297-94-2
Molecular Formula:
C5H10N2O
Molecular Weight:
114.1457
MDL Number:
MFCD27995612
IUPAC Name:
3-(3-methyldiazirin-3-yl)propan-1-ol
InChI:
InChI=1S/C5H10N2O/c1-5(6-7-5)3-2-4-8/h8H,2-4H2,1H3
InChI Key:
DJJQQKQBBXUDCM-UHFFFAOYSA-N
SMILES:
OCCCC1(C)N=N1
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.079g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
114.148g/mol
Monoisotopic Mass:
114.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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