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98-29-3 | 4-(tert-Butyl)benzene-1,2-diol
CAS No: 98-29-3 Catalog No: AG003M1Y MDL No:MFCD00002201
Product Description
Catalog Number:
AG003M1Y
Chemical Name:
4-(tert-Butyl)benzene-1,2-diol
CAS Number:
98-29-3
Molecular Formula:
C10H14O2
Molecular Weight:
166.2170
MDL Number:
MFCD00002201
IUPAC Name:
4-tert-butylbenzene-1,2-diol
InChI:
InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
InChI Key:
XESZUVZBAMCAEJ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1O)C(C)(C)C
EC Number:
202-653-9
UNII:
9A069144KR
NSC Number:
5310
RTECS Number:
UX1400000
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.099g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.22g/mol
Monoisotopic Mass:
166.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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