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85681-95-4 | Phenol,5-amino-2-propyl-
CAS No: 85681-95-4 Catalog No: AG0050I3 MDL No:
Product Description
Catalog Number:
AG0050I3
Chemical Name:
Phenol,5-amino-2-propyl-
CAS Number:
85681-95-4
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
IUPAC Name:
5-amino-2-propylphenol
InChI:
InChI=1S/C9H13NO/c1-2-3-7-4-5-8(10)6-9(7)11/h4-6,11H,2-3,10H2,1H3
InChI Key:
OBSVPCXXFVMJDF-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1O)N
EC Number:
288-233-6
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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