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Home > Boronic Acids > 874459-89-9
874459-89-9 | (4-(Prop-2-yn-1-ylcarbamoyl)phenyl)boronic acid
CAS No: 874459-89-9 Catalog No: AG004FUM MDL No:MFCD04115675
Product Description
Catalog Number:
AG004FUM
Chemical Name:
(4-(Prop-2-yn-1-ylcarbamoyl)phenyl)boronic acid
CAS Number:
874459-89-9
Molecular Formula:
C10H10BNO3
Molecular Weight:
203.0023
MDL Number:
MFCD04115675
IUPAC Name:
[4-(prop-2-ynylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H10BNO3/c1-2-7-12-10(13)8-3-5-9(6-4-8)11(14)15/h1,3-6,14-15H,7H2,(H,12,13)
InChI Key:
HKEKSLIZBDCTPR-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)NCC#C)O
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
203.004g/mol
Monoisotopic Mass:
203.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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