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13651-14-4 | Benzenemethanol, 2,3-dimethyl-
CAS No: 13651-14-4 Catalog No: AG0011XP MDL No:MFCD00046742
Product Description
Catalog Number:
AG0011XP
Chemical Name:
Benzenemethanol, 2,3-dimethyl-
CAS Number:
13651-14-4
Molecular Formula:
C9H12O
Molecular Weight:
136.1910
MDL Number:
MFCD00046742
IUPAC Name:
(2,3-dimethylphenyl)methanol
InChI:
InChI=1S/C9H12O/c1-7-4-3-5-9(6-10)8(7)2/h3-5,10H,6H2,1-2H3
InChI Key:
ZQQIVMXQYUZKIQ-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1C)C
UNII:
425SS1L63Q
NSC Number:
59890
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.194g/mol
Monoisotopic Mass:
136.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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