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1145716-50-2 | Benzoic acid, 5-hydroxy-2-methoxy-4-(1-methylethyl)-
CAS No: 1145716-50-2 Catalog No: AG000EQ4 MDL No:
Product Description
Catalog Number:
AG000EQ4
Chemical Name:
Benzoic acid, 5-hydroxy-2-methoxy-4-(1-methylethyl)-
CAS Number:
1145716-50-2
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
5-hydroxy-2-methoxy-4-propan-2-ylbenzoic acid
InChI:
InChI=1S/C11H14O4/c1-6(2)7-5-10(15-3)8(11(13)14)4-9(7)12/h4-6,12H,1-3H3,(H,13,14)
InChI Key:
MTMMDWHKUPFJRR-UHFFFAOYSA-N
SMILES:
COc1cc(C(C)C)c(cc1C(=O)O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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