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100131-97-3 | Benzenemethanol, α-(aminomethyl)-2-methoxy-5-methyl-
CAS No: 100131-97-3 Catalog No: AG00011A MDL No:
Product Description
Catalog Number:
AG00011A
Chemical Name:
Benzenemethanol, α-(aminomethyl)-2-methoxy-5-methyl-
CAS Number:
100131-97-3
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
2-amino-1-(2-methoxy-5-methylphenyl)ethanol
InChI:
InChI=1S/C10H15NO2/c1-7-3-4-10(13-2)8(5-7)9(12)6-11/h3-5,9,12H,6,11H2,1-2H3
InChI Key:
PVJJWHPKKFAAEF-UHFFFAOYSA-N
SMILES:
NCC(c1cc(C)ccc1OC)O
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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