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Home > Boronic Acids > 590417-54-2
590417-54-2 | (3-Methyl-1H-indol-5-yl)boronic acid
CAS No: 590417-54-2 Catalog No: AG00IAHZ MDL No:MFCD27987717
Product Description
Catalog Number:
AG00IAHZ
Chemical Name:
(3-Methyl-1H-indol-5-yl)boronic acid
CAS Number:
590417-54-2
Molecular Formula:
C9H10BNO2
Molecular Weight:
174.9922
MDL Number:
MFCD27987717
IUPAC Name:
(3-methyl-1H-indol-5-yl)boronic acid
InChI:
InChI=1S/C9H10BNO2/c1-6-5-11-9-3-2-7(10(12)13)4-8(6)9/h2-5,11-13H,1H3
InChI Key:
YLJHTMTUVOSOMB-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)c(C)c[nH]2)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
174.994g/mol
Monoisotopic Mass:
175.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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