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177531-96-3 | Benzenemethanol, 2-amino-3,6-dimethyl-
CAS No: 177531-96-3 Catalog No: AG0025D9 MDL No:
Product Description
Catalog Number:
AG0025D9
Chemical Name:
Benzenemethanol, 2-amino-3,6-dimethyl-
CAS Number:
177531-96-3
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
IUPAC Name:
(2-amino-3,6-dimethylphenyl)methanol
InChI:
InChI=1S/C9H13NO/c1-6-3-4-7(2)9(10)8(6)5-11/h3-4,11H,5,10H2,1-2H3
InChI Key:
NXNWWPMVRXQYFD-UHFFFAOYSA-N
SMILES:
OCc1c(C)ccc(c1N)C
Properties
Complexity:
127
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:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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