200,000+ products from a single source!
sales@angenechem.com
141046-52-8 | 4-(methoxycarbonyl)bicyclo[2.1.1]hexane-1-carboxylic acid
CAS No: 141046-52-8 Catalog No: AG003AOH MDL No:MFCD20645009
Product Description
Catalog Number:
AG003AOH
Chemical Name:
4-(methoxycarbonyl)bicyclo[2.1.1]hexane-1-carboxylic acid
CAS Number:
141046-52-8
Molecular Formula:
C9H12O4
Molecular Weight:
184.1892
MDL Number:
MFCD20645009
IUPAC Name:
4-methoxycarbonylbicyclo[2.1.1]hexane-1-carboxylic acid
InChI:
InChI=1S/C9H12O4/c1-13-7(12)9-3-2-8(4-9,5-9)6(10)11/h2-5H2,1H3,(H,10,11)
InChI Key:
YXVUNUBFPAVHRP-UHFFFAOYSA-N
SMILES:
COC(=O)C12CCC(C1)(C2)C(=O)O
Properties
Complexity:
275
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:
1
Isotope Atom Count:
0
Molecular Weight:
184.191g/mol
Monoisotopic Mass:
184.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.