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10061-72-0 | 2-Butenedioic acid, 2-methyl-, 1,4-bis(phenylmethyl) ester, (2Z)-
CAS No: 10061-72-0 Catalog No: AG0002HH MDL No:
Product Description
Catalog Number:
AG0002HH
Chemical Name:
2-Butenedioic acid, 2-methyl-, 1,4-bis(phenylmethyl) ester, (2Z)-
CAS Number:
10061-72-0
Molecular Formula:
C19H18O4
Molecular Weight:
310.3438
IUPAC Name:
dibenzyl 2-methylbut-2-enedioate
InChI:
InChI=1S/C19H18O4/c1-15(19(21)23-14-17-10-6-3-7-11-17)12-18(20)22-13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3
InChI Key:
BOHSWXANLVKJHN-UHFFFAOYSA-N
SMILES:
O=C(/C=C(\C(=O)OCc1ccccc1)/C)OCc1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.121g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.349g/mol
Monoisotopic Mass:
310.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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