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113946-52-4 | 2-Penten-2-ol, 4-[(4-hydroxybutyl)imino]-
CAS No: 113946-52-4 Catalog No: AG000A47 MDL No:
Product Description
Catalog Number:
AG000A47
Chemical Name:
2-Penten-2-ol, 4-[(4-hydroxybutyl)imino]-
CAS Number:
113946-52-4
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
4-(4-hydroxybutylamino)pent-3-en-2-one
InChI:
InChI=1S/C9H17NO2/c1-8(7-9(2)12)10-5-3-4-6-11/h7,10-11H,3-6H2,1-2H3
InChI Key:
PORKUHMQEWQOGZ-UHFFFAOYSA-N
SMILES:
OCCCCN=C(C=C(O)C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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