200,000+ products from a single source!
sales@angenechem.com
81121-63-3 | 2-Butene-1,4-diol, monobenzoate, (2Z)-
CAS No: 81121-63-3 Catalog No: AG005GDS MDL No:
Product Description
Catalog Number:
AG005GDS
Chemical Name:
2-Butene-1,4-diol, monobenzoate, (2Z)-
CAS Number:
81121-63-3
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
benzoic acid;but-2-ene-1,4-diol
InChI:
InChI=1S/C7H6O2.C4H8O2/c8-7(9)6-4-2-1-3-5-6;5-3-1-2-4-6/h1-5H,(H,8,9);1-2,5-6H,3-4H2
InChI Key:
SRWNSJXFAXJYRP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1.OC/C=C\CO
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.