200,000+ products from a single source!
sales@angenechem.com
2084-13-1 | Benzeneacetic acid, 3-carboxy-
CAS No: 2084-13-1 Catalog No: AG002JO3 MDL No:MFCD15523567
Product Description
Catalog Number:
AG002JO3
Chemical Name:
Benzeneacetic acid, 3-carboxy-
CAS Number:
2084-13-1
Molecular Formula:
C9H8O4
Molecular Weight:
180.1574
MDL Number:
MFCD15523567
IUPAC Name:
3-(carboxymethyl)benzoic acid
InChI:
InChI=1S/C9H8O4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChI Key:
QNUWEXSGZVBMDV-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)C(=O)O
NSC Number:
108368
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.159g/mol
Monoisotopic Mass:
180.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.