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835651-59-7 | 1,4-Butanediol, 2-methylene-3-(phenylmethylene)-, diacetate, (3Z)-
CAS No: 835651-59-7 Catalog No: AG004ZAE MDL No:
Product Description
Catalog Number:
AG004ZAE
Chemical Name:
1,4-Butanediol, 2-methylene-3-(phenylmethylene)-, diacetate, (3Z)-
CAS Number:
835651-59-7
Molecular Formula:
C16H22O6
Molecular Weight:
310.3423
IUPAC Name:
acetic acid;2-benzylidene-3-methylidenebutane-1,4-diol
InChI:
InChI=1S/C12H14O2.2C2H4O2/c1-10(8-13)12(9-14)7-11-5-3-2-4-6-11;2*1-2(3)4/h2-7,13-14H,1,8-9H2;2*1H3,(H,3,4)
InChI Key:
VQDAAQJVOVCMOH-UHFFFAOYSA-N
SMILES:
CC(=O)O.CC(=O)O.OC/C(=C\c1ccccc1)/C(=C)CO
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
310.346g/mol
Monoisotopic Mass:
310.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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