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1005498-91-8 | 2H-Pyran-4-amine, tetrahydro-, acetate (1:1)
CAS No: 1005498-91-8 Catalog No: AG0002AU MDL No:MFCD08445669
Product Description
Catalog Number:
AG0002AU
Chemical Name:
2H-Pyran-4-amine, tetrahydro-, acetate (1:1)
CAS Number:
1005498-91-8
Molecular Formula:
C7H15NO3
Molecular Weight:
161.1989
MDL Number:
MFCD08445669
IUPAC Name:
acetic acid;oxan-4-amine
InChI:
InChI=1S/C5H11NO.C2H4O2/c6-5-1-3-7-4-2-5;1-2(3)4/h5H,1-4,6H2;1H3,(H,3,4)
InChI Key:
PFDSOUIEDDDQES-UHFFFAOYSA-N
SMILES:
NC1CCOCC1.CC(=O)O
Properties
Complexity:
81.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.105g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.201g/mol
Monoisotopic Mass:
161.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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