200,000+ products from a single source!
sales@angenechem.com
15544-51-1 | bicyclo[2.2.1]heptane-1,4-dicarboxylic acid
CAS No: 15544-51-1 Catalog No: AG001NXI MDL No:MFCD20639579
Product Description
Catalog Number:
AG001NXI
Chemical Name:
bicyclo[2.2.1]heptane-1,4-dicarboxylic acid
CAS Number:
15544-51-1
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD20639579
IUPAC Name:
bicyclo[2.2.1]heptane-1,4-dicarboxylic acid
InChI:
InChI=1S/C9H12O4/c10-6(11)8-1-2-9(5-8,4-3-8)7(12)13/h1-5H2,(H,10,11)(H,12,13)
InChI Key:
XTHLMMQPSUSPPS-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCC(C2)(CC1)C(=O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.