200,000+ products from a single source!
sales@angenechem.com
180464-87-3 | Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester
CAS No: 180464-87-3 Catalog No: AG002208 MDL No:MFCD23164154
Product Description
Catalog Number:
AG002208
Chemical Name:
Bicyclo[1.1.1]pentane-1-carboxylic acid, 3-(hydroxymethyl)-, methyl ester
CAS Number:
180464-87-3
Molecular Formula:
C8H12O3
Molecular Weight:
156.1791
MDL Number:
MFCD23164154
IUPAC Name:
methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate
InChI:
InChI=1S/C8H12O3/c1-11-6(10)8-2-7(3-8,4-8)5-9/h9H,2-5H2,1H3
InChI Key:
BYTLJVZXUYVJKN-UHFFFAOYSA-N
SMILES:
OCC12CC(C1)(C2)C(=O)OC
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.181g/mol
Monoisotopic Mass:
156.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.